SCHEMBL30596343

SCHEMBL30596343

NC(=O)C1(c2ccccc2)CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.57
OPRL1 P41146 10/20 0.57
OPRK1 P41145 9/20 0.57
OPRD1 P41143 5/20 0.57
CYP2C9 P11712 1/20 0.57
KCNH2 Q12809 9/20 0.48
CHRM2 P08172 1/20 0.46
CHRM3 P20309 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
SCHEMBL3155487 0.89 OPRM1 (0.55) OPRM1OPRL1OPRK1OPRD1CYP2C9
SCHEMBL5486179 0.85 OPRK1 (0.49) OPRM1OPRL1OPRK1OPRD1CYP2C9
SCHEMBL29087351 0.81 OPRM1 (0.52) OPRM1OPRL1OPRK1OPRD1KCNH2
SCHEMBL30057981 0.78 GRM6 (0.55) OPRM1OPRK1OPRD1KCNH2CHRM2
SCHEMBL11545110 0.78 CHRM2 (0.47) OPRM1OPRK1OPRD1KCNH2CHRM2
SCHEMBL1513400 0.78 DRD2 (0.62) OPRM1OPRL1OPRK1OPRD1
SCHEMBL11545113 0.78 CHRM2 (0.47) OPRM1OPRK1OPRD1KCNH2CHRM2
SCHEMBL1843594 0.76 OPRK1 (0.61) OPRM1OPRK1OPRD1KCNH2
SCHEMBL1843593 0.76 OPRK1 (0.61) OPRM1OPRK1OPRD1KCNH2
SCHEMBL7290091 0.74 CHRM2 (0.46) OPRM1OPRK1OPRD1KCNH2CHRM2

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
CN-116806217-A Substituted cyclic modulators of protein phosphatase 2A (PP 2A) and methods of use thereof 拉帕塔疗法公司 2023-09-26 CN disclosed