SCHEMBL11870243

SCHEMBL11870243

c1ccc(C2OC3(CCN(CC4CC4)CC3)c3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ SIGMAR1 Q99720 5/20 0.49
▸ PRCP P42785 3/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ ADRA2A P08913 1/20 0.46
▸ SLC18A3 Q16572 1/20 0.46
▸ EBPL Q9BY08 1/20 0.46

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
SCHEMBL11859408 0.93 OPRD1 (0.47) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL14650822 0.87 PRCP (0.64) SIGMAR1PRCP
SCHEMBL11858736 0.84 OPRD1 (0.54) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11684907 0.83 SIGMAR1 (0.70) OPRD1SIGMAR1PRCPOPRM1OPRK1
SCHEMBL12175477 0.83 PRCP (0.62) SIGMAR1PRCP
SCHEMBL12175475 0.82 PRCP (0.61) SIGMAR1PRCPOPRM1
SCHEMBL11870073 0.82 SIGMAR1 (0.48) OPRD1SIGMAR1OPRM1OPRK1ADRA2A
SCHEMBL11859292 0.81 SIGMAR1 (0.60) OPRD1KCNH2SIGMAR1OPRM1OPRK1
SCHEMBL11781143 0.81 SIGMAR1 (0.51) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11850101 0.80 OPRD1 (0.50) OPRD1KCNH2SIGMAR1PRCPOPRM1

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 claimed
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