SCHEMBL6822715

SCHEMBL6822715

C=CCC1(CC=C)CC2(CCN(C(=O)OC(C)(C)C)CC2)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 6/20 0.39
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
PRKCA P17252 1/20 0.35
F13A1 P00488 2/20 0.35
TGM2 P21980 2/20 0.35
TGM1 P22735 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6823231 0.87 USP2 (0.41) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL6823010 0.84 USP2 (0.44) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL6823065 0.84
SCHEMBL6823567 0.78 USP2 (0.43) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL6823515 0.75 USP2 (0.40) USP2SMN1; SMN2GPR119OPRD1OPRK1
SCHEMBL1224512 0.74 USP2 (0.45) USP2SMN1; SMN2DDB1CRBNF13A1
SCHEMBL31511515 0.74 USP2 (0.45) USP2SMN1; SMN2DDB1CRBNF13A1
SCHEMBL371222 0.74 USP2 (0.45) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL6823297 0.74 DDB1 (0.39) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL2129847 0.73 USP2 (0.44) USP2SMN1; SMN2DDB1CRBNF13A1

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
WO-2004058763-A1 4(SPIROPIPERIDINYL)METHYL SUBSTITUTED PYRROLIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2004-07-15 WO disclosed