SCHEMBL11863710

SCHEMBL11863710

c1ccc(CN2CCC3(C2)OC(c2ccccc2)c2ccccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.60
▸ OPRM1 P35372 3/20 0.58
▸ OPRK1 P41145 3/20 0.58
▸ OPRD1 P41143 2/20 0.58
▸ ADRA2A P08913 1/20 0.57
▸ SLC18A3 Q16572 2/20 0.56
▸ EBP Q15125 2/20 0.56
▸ EBPL Q9BY08 1/20 0.56

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 0.92 SIGMAR1 (0.70) SIGMAR1OPRM1OPRK1OPRD1ADRA2A
SCHEMBL11859408 0.84 OPRD1 (0.47) SIGMAR1OPRM1OPRK1OPRD1
SCHEMBL11778403 0.83 OPRD1 (0.47) SIGMAR1OPRM1OPRK1OPRD1ADRA2A
SCHEMBL11859292 0.82 SIGMAR1 (0.60) SIGMAR1OPRM1OPRK1OPRD1ADRA2A
SCHEMBL11849041 0.82 OPRD1 (0.46) SIGMAR1OPRM1OPRK1OPRD1ADRA2A
SCHEMBL11858736 0.81 OPRD1 (0.54) SIGMAR1OPRM1OPRK1OPRD1ADRA2A
SCHEMBL3918703 0.81 SIGMAR1 (0.86) SIGMAR1OPRM1OPRK1OPRD1ADRA2A
SCHEMBL11851978 0.79 KCNH2 (0.52) SIGMAR1OPRM1OPRK1OPRD1ADRA2A
SCHEMBL11870243 0.79 OPRD1 (0.52) SIGMAR1OPRM1OPRK1OPRD1ADRA2A
SCHEMBL11781143 0.78 SIGMAR1 (0.51) SIGMAR1OPRM1OPRK1OPRD1ADRA2A

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
Send feedback