SCHEMBL7422666

SCHEMBL7422666

CCOC(=O)CCCCCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.58
CCR3 P51677 1/20 0.54
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
OPRM1 P35372 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
MAPK1 P28482 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51

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
SCHEMBL7423471 1.00 HTR7 (0.58) HTR7CCR3ALDH1A1KDM4ETDP1
SCHEMBL7423981 0.99 HTR7 (0.57) HTR7CCR3ALDH1A1KDM4ETDP1
SCHEMBL6604229 0.95 CACNA1G (0.54) HTR7CCR3ALDH1A1KDM4ETDP1
SCHEMBL6005349 0.89 KMT2A (0.58) HTR7ALDH1A1KDM4ETDP1OPRM1
SCHEMBL5329789 0.88 L3MBTL1 (0.56) HTR7ALDH1A1KDM4EMAPK1
SCHEMBL1206086 0.85 SMN1; SMN2 (0.52) ALDH1A1KDM4E
SCHEMBL10898699 0.84 ADRA1D (0.53) ALDH1A1TDP1OPRM1SIGMAR1MAPK1
SCHEMBL27407955 0.83 ACHE (0.56) HTR7ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL10899218 0.82 ALDH1A1 (0.55) ALDH1A1OPRM1SIGMAR1MAPK1
SCHEMBL3039551 0.82 L3MBTL1 (0.63) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0637318-B1 PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
US-5686564-A Peptide derivatives corresponding to the carboxy terminal sequence of hirudin NOVARTIS CORPORATION (US) 1997-11-11 US disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed
EP-0637318-A1 PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN Novartis AG (CH) 1995-02-08 EP disclosed
WO-1993022344-A1 PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN CIBA-GEIGY AG (CH) 1993-11-11 WO disclosed