Sugi Predict

Sugi Predict / Compounds / SCHEMBL9505209

SCHEMBL9505209

SCHEMBL9505209

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1F O60840 12/20 0.87
▸ CACNA1D Q01668 12/20 0.87
▸ CACNA1S Q13698 12/20 0.87
▸ CACNA1C Q13936 12/20 0.87
▸ ADORA3 P0DMS8 1/20 0.87
▸ MEN1 O00255 4/20 0.83
▸ CYP1A2 P05177 4/20 0.83
▸ CYP3A4 P08684 4/20 0.83
▸ CYP2C9 P11712 4/20 0.83
▸ CYP2C19 P33261 4/20 0.83
▸ KMT2A Q03164 4/20 0.83
▸ LMNA P02545 3/20 0.83
▸ MAPT P10636 3/20 0.83
▸ CYP2D6 P10635 2/20 0.83
▸ TSHR P16473 2/20 0.83
▸ NFKB1 P19838 2/20 0.83
▸ THPO P40225 2/20 0.83
▸ HIF1A Q16665 3/20 0.80
▸ POLB P06746 1/20 0.80
▸ MAPK1 P28482 1/20 0.80

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
SCHEMBL11521702 0.94 CACNA1F (0.78) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11688287 0.94 CACNA1F (0.78) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL2574894 0.93 CACNA1F (1.00) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11011759 0.93 MEN1 (0.82) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11836280 0.93 CACNA1F (0.77) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11010442 0.93 MEN1 (0.85) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10813057 0.92 CACNA1F (0.75) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL16208471 0.92 CACNA1F (0.84) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Nimodipine SCHEMBL22689960 0.92 MEN1 (0.89) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10986569 0.91 CACNA1F (0.80) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458823-B1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-10-13 — — EP disclosed
US-5245039-A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA (IT) 1993-09-14 — — US disclosed
EP-0458823-A1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES. BOEHRINGER MANNHEIM ITALIA (IT) 1991-12-04 — — EP disclosed
US-4988717-A Optically active 1,4-dihydropyridine esters useful for treating circulatory illnesses BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 — — US disclosed
WO-1990009376-A1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-08-23 — — WO disclosed
EP-0383320-A1 A process for preparation of enantiomerically pure polysubstituted 1,4-dihydropyridines BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-08-22 — — EP disclosed
US-4849433-A The compound, (⃡)1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-pyridine-3,5-dicarboxylic acid, methyl isobutyl ester, compositions containing same and a method for effecting coronary dilation BAYER AKTIENGESELLSCHAFT (DE) 1989-07-18 — — US disclosed
US-4703119-A Intermediates of optically active 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1987-10-27 — — US disclosed
US-4510310-A 1,4-Dihydro-2,6-dimethyl-4-(2'-chlorophenyl)-3,5-dicarboxylic acid,methyl or ethyl,trifluoroethyl ester BAYER AKTIENGESELLSCHAFT (DE) 1985-04-09 — — US disclosed
US-4497821-A Medicaments having antihypoxic and ischaemia-protective activity BAYER AKTIENGESELLSCHAFT (DE) 1985-02-05 — — US disclosed
US-3932645-A CORONARY VASODILATORS, HYPOTENSIVE AGENTS FARBENFABRIKEN BAYER AG (DT) 1976-01-13 — — US disclosed