SCHEMBL6823567

SCHEMBL6823567

CCCC1(C)CC2(CCN(C(=O)OC(C)(C)C)CC2)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR119 Q8TDV5 8/20 0.39
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
IDO1 P14902 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
HRH3 Q9Y5N1 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 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
SCHEMBL6823010 0.88 USP2 (0.44) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL6823231 0.84 USP2 (0.41) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL6822715 0.78 USP2 (0.42) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL6825609 0.76 MMP2 (0.31) GPR119
SCHEMBL6825314 0.76 USP2 (0.41) USP2SMN1; SMN2GPR119
SCHEMBL371222 0.75 USP2 (0.45) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL26665513 0.72 USP2 (0.47) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL4689251 0.71 GPR119 (0.49) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL31189134 0.71 USP2 (0.47) USP2SMN1; SMN2GPR119CHRM2CHRM4
SCHEMBL3496683 0.71 USP2 (0.37) USP2SMN1; SMN2DDB1CRBNKMT2A

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