SCHEMBL11781464

SCHEMBL11781464

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ SIGMAR1 Q99720 4/20 0.45
▸ PRCP P42785 5/20 0.44
▸ ADRA2A P08913 1/20 0.42
▸ MAOB P27338 2/20 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
SCHEMBL11781143 0.91 SIGMAR1 (0.51) OPRD1KCNH2SIGMAR1PRCPADRA2A
SCHEMBL11783971 0.89 PRCP (0.48) OPRD1KCNH2SIGMAR1PRCPADRA2A
SCHEMBL11781772 0.89 PRCP (0.52) OPRD1KCNH2SIGMAR1PRCP
SCHEMBL11780509 0.89 SIGMAR1 (0.45) OPRD1KCNH2SIGMAR1PRCP
SCHEMBL11778772 0.86 OPRD1 (0.47) OPRD1KCNH2SIGMAR1PRCPADRA2A
SCHEMBL11778403 0.84 OPRD1 (0.47) OPRD1KCNH2SIGMAR1PRCPADRA2A
SCHEMBL11782375 0.83 PRCP (0.43) OPRD1KCNH2SIGMAR1PRCPADRA2A
SCHEMBL11844053 0.82 OPRD1 (0.45) OPRD1KCNH2SIGMAR1PRCPADRA2A
SCHEMBL11780816 0.78 OPRD1 (0.41) OPRD1KCNH2SIGMAR1PRCPMAOB
SCHEMBL11783875 0.78 PRCP (0.46) OPRD1KCNH2SIGMAR1PRCPMAOB

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
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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