SCHEMBL6823297

SCHEMBL6823297

C=CCC1CC2(CCN(C(=O)OC(C)(C)C)CC2)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
GPR119 Q8TDV5 11/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.38
EPHX2 P34913 1/20 0.36
KMT2A Q03164 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
SCHEMBL6824794 0.79 GPR119 (0.49) GPR119SMN1; SMN2IDO1
SCHEMBL7665691 0.78 SSTR5 (0.52) GPR119IDO1KMT2A
SCHEMBL6822716 0.75 USP2 (0.40) DDB1CRBNGPR119USP2SMN1; SMN2
SCHEMBL6819442 0.74 DDB1 (0.34) DDB1CRBNGPR119IDO1KMT2A
SCHEMBL6822715 0.74 USP2 (0.42) DDB1CRBNGPR119USP2SMN1; SMN2
SCHEMBL6823231 0.73 USP2 (0.41) DDB1CRBNGPR119USP2SMN1; SMN2
SCHEMBL31189134 0.72 USP2 (0.47) GPR119USP2SMN1; SMN2KMT2A
SCHEMBL15166535 0.72 USP2 (0.44) GPR119USP2SMN1; SMN2IDO1KMT2A
SCHEMBL3493829 0.72 GPR119 (0.44) DDB1CRBNGPR119USP2SMN1; SMN2
SCHEMBL21595331 0.71 DDB1 (0.37) DDB1CRBNGPR119USP2SMN1; SMN2

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