SCHEMBL6822716

SCHEMBL6822716

C=CCC1CCC2(CCN(C(=O)OC(C)(C)C)CC2)O1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.39
EPHX1 P07099 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GPR119 Q8TDV5 5/20 0.36
EPHX2 P34913 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL15229254 0.84 USP2 (0.43) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL6825335 0.82 USP2 (0.42) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL1575074 0.78 USP2 (0.47) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL22284182 0.76 GPR119 (0.42) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL6823297 0.75 DDB1 (0.39) USP2SMN1; SMN2DDB1CRBNGPR119
SCHEMBL1854557 0.74 HPGD (0.50) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL6747537 0.74 USP2 (0.46) USP2SMN1; SMN2RECQLHPGDGPR119
SCHEMBL26630217 0.73 USP2 (0.45) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL29984929 0.72 USP2 (0.40) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL30864016 0.72 USP2 (0.44) USP2SMN1; SMN2RECQLHPGDEPHX1

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