SCHEMBL11780509

SCHEMBL11780509

C#CCN1CCC2(CC1)OC(c1ccc(O)cc1)c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.45
▸ PRCP P42785 5/20 0.44
▸ OPRD1 P41143 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ OPRM1 P35372 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ DRD2 P14416 1/20 0.40

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
SCHEMBL11781143 0.91 SIGMAR1 (0.51) SIGMAR1PRCPOPRD1KCNH2OPRM1
SCHEMBL11781772 0.89 PRCP (0.52) SIGMAR1PRCPOPRD1KCNH2OPRM1
SCHEMBL11781464 0.89 OPRD1 (0.45) SIGMAR1PRCPOPRD1KCNH2
SCHEMBL11780816 0.87 OPRD1 (0.41) SIGMAR1PRCPOPRD1KCNH2OPRM1
SCHEMBL11782429 0.87 OPRD1 (0.41) SIGMAR1PRCPOPRD1KCNH2OPRM1
SCHEMBL11783971 0.87 PRCP (0.48) SIGMAR1PRCPOPRD1KCNH2OPRM1
SCHEMBL11778772 0.86 OPRD1 (0.47) SIGMAR1PRCPOPRD1KCNH2OPRM1
SCHEMBL11778403 0.84 OPRD1 (0.47) SIGMAR1PRCPOPRD1KCNH2OPRM1
SCHEMBL11782375 0.81 PRCP (0.43) SIGMAR1PRCPOPRD1KCNH2
SCHEMBL11855274 0.81 SIGMAR1 (0.44) SIGMAR1PRCPOPRD1KCNH2

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-3980786-A 1,3-Dihydro-3-phenyl-1'-(2-propynyl)spiro[isobenzofuran]s AMERICAN HOECHST CORPORATION (US) 1976-09-14 — — US claimed
US-3980786-A 1,3-Dihydro-3-phenyl-1'-(2-propynyl)spiro[isobenzofuran]s AMERICAN HOECHST CORPORATION (US) 1976-09-14 — — US disclosed
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