SCHEMBL6427770

SCHEMBL6427770

COC(=O)OC1=C(C)NC(C)=C(OC(=O)OC)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.67
CACNA1C Q13936 6/20 0.67
CYP1A2 P05177 5/20 0.67
MAPT P10636 5/20 0.67
CYP3A4 P08684 4/20 0.67
CYP2C9 P11712 4/20 0.67
CYP2C19 P33261 4/20 0.67
KMT2A Q03164 4/20 0.67
CACNA1F O60840 3/20 0.67
CACNA1D Q01668 3/20 0.67
CACNA1S Q13698 3/20 0.67
TSHR P16473 3/20 0.67
NFKB1 P19838 3/20 0.67
ALDH1A1 P00352 3/20 0.67
ABCC4 O15439 2/20 0.67
ABCB11 O95342 2/20 0.67
LMNA P02545 2/20 0.67
ADORA2A P29274 2/20 0.67
ADORA1 P30542 2/20 0.67
OPRM1 P35372 2/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11360822 0.95 ADORA3 (0.62) ADORA3CACNA1CCYP1A2MAPTCYP3A4
SCHEMBL6425245 0.94 CACNA1D (0.61) ADORA3CACNA1CCYP1A2MAPTCYP3A4
SCHEMBL11369478 0.93 CYP1A2 (0.60) ADORA3CACNA1CCYP1A2MAPTCYP3A4
SCHEMBL9689499 0.93 ADORA3 (0.62) ADORA3CACNA1CCYP1A2MAPTCYP3A4
SCHEMBL10647337 0.91 CACNA1D (0.70) ADORA3CACNA1CCYP1A2MAPTCYP3A4
SCHEMBL6427366 0.91 CACNA1D (0.57) ADORA3CACNA1CCYP1A2MAPTCYP3A4
SCHEMBL11165785 0.91 CACNA1C (0.57) ADORA3CACNA1CCYP1A2MAPTCYP3A4
SCHEMBL11117647 0.90 CACNA1D (0.56) ADORA3CACNA1CCYP1A2MAPTCYP3A4
SCHEMBL10646965 0.90 CACNA1D (0.56) ADORA3CACNA1CCYP1A2MAPTCYP3A4
SCHEMBL10369519 0.90 ADORA3 (0.58) ADORA3CACNA1CCYP1A2MAPTCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151989-B1 MEANS FOR THE TREATMENT OF CARDIAC DISEASES Ismail, Roshdy, Dr. (DE) 1991-04-10 EP claimed
EP-0143857-B1 THERAPEUTIC CORONARY COMPOSITION IN THE FORM OF SOFT GELATINE CAPSULES SIEGFRIED AKTIENGESELLSCHAFT (CH) 1988-04-06 EP claimed
EP-0143857-A1 Therapeutic coronary composition in the form of soft gelatine capsules SIEGFRIED AKTIENGESELLSCHAFT (CH) 1985-06-12 EP claimed
EP-1345618-B1 CHLORZOXAZONE FOR THE TREATMENT OF PSORIASIS SWITCH BIOTECH AG (DE) 2005-03-23 EP disclosed
EP-0868422-A1 ULTRAMICROEMULSION OF SPONTANEOUSLY DISPERSIBLE CONCENTRATES OF ESTERS OF BACCATIN-III COMPOUNDS WITH ANTITUMOR AND ANTIVIRAL EFFECT MARIGEN S.A. (CH) 1998-10-07 EP disclosed
EP-0858331-A1 SPONTANEOUSLY DISPERSIBLE CONCENTRATES OF STEROL ESTERS AND VITAMIN D DERIVATIVES WITH ANTIVIRAL, VIRUCIDAL AND/OR PARASITICIDAL EFFECT MARIGEN S.A. (CH) 1998-08-19 EP disclosed
WO-1998013359-A1 ULTRAMICROEMULSION OF SPONTANEOUSLY DISPERSIBLE CONCENTRATES OF ESTERS OF BACCATIN-III COMPOUNDS WITH ANTITUMOR AND ANTIVIRAL EFFECT MARIGEN S.A. (CH) 1998-04-02 WO disclosed
WO-1998006390-A1 SPONTANEOUSLY DISPERSIBLE CONCENTRATES OF STEROL ESTERS AND VITAMIN D DERIVATIVES WITH ANTIVIRAL, VIRUCIDAL AND/OR PARASITICIDAL EFFECT MARIGEN S.A. (CH) 1998-02-19 WO disclosed
US-5593691-A DIESTERS AND UNSATURATED DIESTERS WITH COSMETICS, DRUGS AND TENSIDES MARIGEN S.A. (CH) 1997-01-14 US disclosed
EP-0078430-B2 PROCESS FOR PREPARING SOLID FAST-RELEASING DRUG FORMULATIONS OF DIHYDROPYRIDINES BAYER AG (DE) 1993-02-10 EP disclosed
EP-0151989-B1 MEANS FOR THE TREATMENT OF CARDIAC DISEASES Ismail, Roshdy, Dr. (DE) 1991-04-10 EP disclosed
EP-0143857-B1 THERAPEUTIC CORONARY COMPOSITION IN THE FORM OF SOFT GELATINE CAPSULES SIEGFRIED AKTIENGESELLSCHAFT (CH) 1988-04-06 EP disclosed
EP-0078430-B1 PROCESS FOR PREPARING SOLID FAST-RELEASING DRUG FORMULATIONS OF DIHYDROPYRIDINES BAYER AG (DE) 1986-04-23 EP disclosed
EP-0158955-A2 Hexahydropyridines, process for their preparation and their use as pharmaceutical compounds BAYER AG (DE) 1985-10-23 EP disclosed
EP-0158956-A2 4-(Nitrophenyl)-tetrahydropyridines, process for their preparation and their application as pharmaceutical compounds BAYER AG (DE) 1985-10-23 EP disclosed
EP-0111455-A2 Unsaturated lactones CIBA-GEIGY AG (CH) 1984-06-20 EP disclosed
EP-0078430-A2 Process for preparing solid fast-releasing drug formulations of dihydropyridines BAYER AG (DE) 1983-05-11 EP disclosed
EP-0042093-A2 4-Aralkyl-1,4-dihydropyridines, processes for praparing them, their use as medicines and preparation thereof BAYER AG (DE) 1981-12-23 EP disclosed
EP-0042092-A2 1,4-Dihydropyridine-4-carboxamides, process for preparing them, their use as medicines and preparation thereof BAYER AG (DE) 1981-12-23 EP disclosed
EP-0042089-A2 4-Heterocylic substituted dihydropyridines, processes for preparing them, their therapeutical use and their preparation BAYER AG (DE) 1981-12-23 EP disclosed