SCHEMBL28012008

SCHEMBL28012008

O=C1Cc2ccccc2N1C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
NOTUM Q6P988 1/20 0.49
OPRM1 P35372 5/20 0.46
OPRK1 P41145 4/20 0.46
OPRL1 P41146 3/20 0.46
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
DRD3 P35462 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD1 P21728 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 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
SCHEMBL14663958 0.79 HPGD (0.45) HPGDNOTUMOPRM1OPRK1OPRL1
SCHEMBL4200813 0.78 NOTUM (0.51) HPGDNOTUMOPRM1OPRK1OPRL1
SCHEMBL28303403 0.77 HPGD (0.43) HPGDNOTUMOPRM1OPRK1OPRL1
SCHEMBL3227444 0.75 NOTUM (0.49) HPGDNOTUMOPRM1OPRK1OPRL1
SCHEMBL4656372 0.75 NOTUM (0.49) HPGDNOTUMOPRM1OPRK1OPRL1
SCHEMBL4553514 0.75 NOTUM (0.53) HPGDNOTUMOPRM1OPRK1OPRL1
SCHEMBL17278480 0.73 HPGD (0.40) HPGDNOTUMOPRM1OPRK1OPRL1
SCHEMBL21142478 0.72 NOTUM (0.46) HPGDNOTUMOPRM1OPRK1OPRL1
SCHEMBL11650115 0.71 MEN1 (0.42) CYP2D6DDB1CRBNKMT2AKDM4E
SCHEMBL8669245 0.71 HPGD (0.44) HPGDNOTUMOPRM1OPRK1OPRL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928247-A Spiral shell oxindole compounds and its purposes as therapeutic agent 泽农医药公司 2017-07-07 CN disclosed
CN-103664973-B Spiro-oxindole compounds and their use as therapeutic agents 泽农医药公司 2017-04-19 CN disclosed
CN-102256983-B Spirooxindole compounds and their use as therapeutic agents 泽农医药公司 2017-04-05 CN disclosed
CN-105218565-A Spiral shell oxindole compounds and the purposes as therapeutical agent thereof XENON PHARMACEUTICALS INC 2016-01-06 CN disclosed
CN-105175433-A Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC 2015-12-23 CN disclosed
CN-102153562-B Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2015-05-13 CN disclosed