SCHEMBL7413465

SCHEMBL7413465

CCOC(=O)C1(c2cnc(CCl)nc2)CC=CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
OPRM1 P35372 10/20 0.38
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
SLC22A1 O15245 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL7426071 0.87 POLB (0.40) POLBOPRM1OPRD1OPRK1SLC22A1
SCHEMBL5860380 0.74 OPRM1 (0.64) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL23094453 0.70 OPRM1 (0.47) POLBOPRM1OPRD1OPRK1SLC22A1
SCHEMBL244149 0.69 OPRM1 (0.37) POLBOPRM1OPRD1OPRK1SLC22A1
SCHEMBL21874369 0.68 OPRM1 (0.45) POLBOPRM1OPRD1OPRK1SLC22A1
SCHEMBL349662 0.68 OPRM1 (0.53) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL30404311 0.67 OPRM1 (0.40) POLBOPRM1OPRD1OPRK1SLC22A1
SCHEMBL17796691 0.66 OPRM1 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4984887 0.65 MEN1 (0.53) POLBOPRM1OPRD1OPRK1SLC22A1
SCHEMBL28936359 0.64 OPRM1 (0.36) POLBOPRM1OPRD1OPRK1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995002596-A1 AZACYCLIC-HETEROCYCLIC COMPOUNDS AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-01-26 WO disclosed