SCHEMBL7419947

SCHEMBL7419947

CCOC(=O)C1(c2ccc(CCl)s2)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
OPRM1 P35372 8/20 0.39
NPSR1 Q6W5P4 1/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
SLC22A1 O15245 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL244149 0.84 OPRM1 (0.37) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7425414 0.76 TP53 (0.58) ALDH1A1LMNAPOLB
SCHEMBL22992467 0.70 OPRM1 (0.52) ALDH1A1CYP2C19LMNATSHROPRM1
SCHEMBL14731158 0.70 OPRM1 (0.52) ALDH1A1CYP2C19LMNATSHROPRM1
SCHEMBL1625409 0.70 OPRM1 (0.67) ALDH1A1CYP2C19LMNATSHROPRM1
SCHEMBL2324751 0.70 OPRM1 (0.52) ALDH1A1CYP2C19LMNATSHROPRM1
SCHEMBL7423695 0.68 OPRM1 (0.42) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL17796663 0.68 OPRM1 (0.48) ALDH1A1CYP2C19LMNATSHROPRM1
SCHEMBL2326102 0.68 OPRM1 (0.51) ALDH1A1CYP2C19LMNATSHROPRM1
SCHEMBL22992372 0.68 OPRM1 (0.47) ALDH1A1CYP2C19LMNATSHROPRM1

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