SCHEMBL11859292

SCHEMBL11859292

c1ccc(CCN2CCC3(CC2)OC(c2ccccc2)c2ccccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 9/20 0.60
▸ OPRD1 P41143 2/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ ADRA2A P08913 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ SLC18A3 Q16572 1/20 0.50
▸ EBPL Q9BY08 1/20 0.50

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
SCHEMBL11684907 0.87 SIGMAR1 (0.70) SIGMAR1OPRD1OPRM1OPRK1ADRA2A
SCHEMBL12175587 0.84 PRCP (0.65) SIGMAR1
SCHEMBL11858736 0.83 OPRD1 (0.54) SIGMAR1OPRD1OPRM1OPRK1ADRA2A
SCHEMBL11863710 0.82 SIGMAR1 (0.60) SIGMAR1OPRD1OPRM1OPRK1ADRA2A
SCHEMBL11682895 0.81 KCNH2 (0.57) SIGMAR1OPRD1OPRM1OPRK1ADRA2A
SCHEMBL12175582 0.81 PRCP (0.59) SIGMAR1
SCHEMBL11843820 0.81 OPRD1 (0.47) SIGMAR1OPRD1OPRM1OPRK1ADRA2A
SCHEMBL11870243 0.81 OPRD1 (0.52) SIGMAR1OPRD1OPRM1OPRK1ADRA2A
SCHEMBL12175586 0.81 PRCP (0.66) —
SCHEMBL15894617 0.81 PRCP (0.61) SIGMAR1

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-3959475-A ANTIDEPRESSANT, TRANQUILIZER, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1976-05-25 — — US disclosed
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