SCHEMBL11859408

SCHEMBL11859408

c1ccc(C2OC3(CCN(CC4CC4)C3)c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ PRCP P42785 4/20 0.46
▸ SIGMAR1 Q99720 3/20 0.45
▸ OPRM1 P35372 1/20 0.43
▸ OPRK1 P41145 1/20 0.43

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
SCHEMBL11870243 0.93 OPRD1 (0.52) OPRD1KCNH2PRCPSIGMAR1OPRM1
SCHEMBL11863710 0.84 SIGMAR1 (0.60) OPRD1SIGMAR1OPRM1OPRK1
SCHEMBL14650822 0.82 PRCP (0.64) PRCPSIGMAR1
SCHEMBL11778403 0.82 OPRD1 (0.47) OPRD1KCNH2PRCPSIGMAR1OPRM1
SCHEMBL11849041 0.81 OPRD1 (0.46) OPRD1KCNH2PRCPSIGMAR1OPRM1
SCHEMBL11733338 0.80 PRCP (0.45) PRCPSIGMAR1
SCHEMBL11858736 0.80 OPRD1 (0.54) OPRD1KCNH2PRCPSIGMAR1OPRM1
SCHEMBL11684907 0.79 SIGMAR1 (0.70) OPRD1PRCPSIGMAR1OPRM1OPRK1
SCHEMBL12175477 0.78 PRCP (0.62) PRCPSIGMAR1
SCHEMBL11851978 0.78 KCNH2 (0.52) OPRD1KCNH2PRCPSIGMAR1OPRM1

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