SCHEMBL11880458

SCHEMBL11880458

c1ccc(SN2CCC3(CC2)OC(c2ccccc2)c2ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ SIGMAR1 Q99720 6/20 0.44
▸ PRCP P42785 4/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ ADRA2A P08913 1/20 0.39
▸ SLC18A3 Q16572 1/20 0.39
▸ EBPL Q9BY08 1/20 0.39

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
SCHEMBL11883504 0.93 OPRD1 (0.49) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11879294 0.92 OPRD1 (0.56) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11881722 0.92 OPRD1 (0.51) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11880970 0.89 OPRD1 (0.44) OPRD1KCNH2SIGMAR1PRCPADRA2A
SCHEMBL11879132 0.89 OPRD1 (0.46) OPRD1KCNH2SIGMAR1PRCPADRA2A
SCHEMBL11878864 0.87 OPRD1 (0.45) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11884181 0.85 OPRD1 (0.57) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11684960 0.81 OPRD1 (0.57) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11682895 0.81 KCNH2 (0.57) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11681373 0.81 OPRD1 (0.60) 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-3980787-A DIURETIC AND ANTIHYPERTENSIVE AGENTS AMERICAN HOECHST CORPORATION (US) 1976-09-14 — — US disclosed
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