SCHEMBL5772880

SCHEMBL5772880

CC[C@]1(c2cccc(OC)c2)CC[C@@H](NC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
GRIN2B Q13224 1/20 0.41
SLC6A4 P31645 4/20 0.39
SLC6A2 P23975 3/20 0.39
SLC22A1 O15245 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ICMT O60725 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
MGLL Q99685 1/20 0.38
KDM1A O60341 1/20 0.38
SOAT1 P35610 1/20 0.38
CASR P41180 1/20 0.38

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
SCHEMBL5772883 1.00 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL5772887 1.00 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL4879205 0.90 DPP4 (0.50) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL4879198 0.90 DPP4 (0.50) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL4879203 0.90 DPP4 (0.50) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL4878471 0.90 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL4878461 0.90 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL4870930 0.87 MGLL (0.42) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL4870923 0.87 MGLL (0.42) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL4870919 0.87 MGLL (0.42) OPRM1OPRD1OPRK1OPRL1GRIN2B

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
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed