SCHEMBL6825314

SCHEMBL6825314

CCCC1(C)COC2(CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 6/20 0.36
RECQL P46063 1/20 0.35
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CCR5 P51681 1/20 0.33

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
SCHEMBL6823515 0.83 USP2 (0.40) USP2SMN1; SMN2GPR119RECQLATM
SCHEMBL22814520 0.81 USP2 (0.47) USP2SMN1; SMN2GPR119RECQLATM
SCHEMBL31283902 0.80 USP2 (0.46) USP2SMN1; SMN2GPR119RECQLATM
SCHEMBL156363 0.78 USP2 (0.56) USP2SMN1; SMN2GPR119RECQLHPGD
SCHEMBL6823567 0.76 USP2 (0.43) USP2SMN1; SMN2GPR119
SCHEMBL21148250 0.76 USP2 (0.46) USP2SMN1; SMN2GPR119RECQLATM
SCHEMBL1700547 0.75 USP2 (0.53) USP2SMN1; SMN2GPR119RECQLHPGD
SCHEMBL6823010 0.75 USP2 (0.44) USP2SMN1; SMN2GPR119RECQLEPHX2
SCHEMBL17861638 0.74 USP2 (0.45) USP2SMN1; SMN2GPR119RECQLHPGD
SCHEMBL16126090 0.74 USP2 (0.45) USP2SMN1; SMN2RECQLATMHPGD

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