SCHEMBL7419666

SCHEMBL7419666

CCOC(=O)C1(c2ccc(C=O)s2)Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.46
OPRD1 P41143 4/20 0.46
OPRK1 P41145 4/20 0.46
SLC22A1 O15245 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46
BRD4 O60885 1/20 0.41

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
SCHEMBL240032 0.84 OPRM1 (0.39) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7423695 0.84 OPRM1 (0.42) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7412704 0.83 OPRM1 (0.41) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7421543 0.76 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL17316010 0.75 OPRM1 (0.67) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7425452 0.73 OPRM1 (0.34) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7301462 0.71 BRD4 (0.54) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL261057 0.70 BRD4 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL30114968 0.70 BRD4 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL21142455 0.70 BRD4 (0.68) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789415-A Azacyclic-heterocyclic compounds as angiotension II receptor antagonists PFIZER INC. (US) 1998-08-04 US disclosed
WO-1995002596-A1 AZACYCLIC-HETEROCYCLIC COMPOUNDS AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-01-26 WO disclosed