SCHEMBL1735388

SCHEMBL1735388

CCN(CC)CCOc1ccc(Nc2ncc(-c3ccc(C(=O)NC(C(=O)O)C(C)(C)C)cc3)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
MCHR1 Q99705 7/20 0.52
RIPK2 O43353 7/20 0.46
NOD2 Q9HC29 7/20 0.46
CDK4 P11802 2/20 0.46
CCND1 P24385 2/20 0.46
CCND2 P30279 2/20 0.46
CCND3 P30281 2/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
CHRM2 P08172 1/20 0.44
ACVR1 Q04771 5/20 0.44
CSNK2A1 P68400 1/20 0.42

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
SCHEMBL1735191 0.87 RIPK2 (0.43) HRH3MCHR1RIPK2NOD2CDK4
SCHEMBL13605370 0.85 HRH3 (0.52) HRH3MCHR1RIPK2NOD2CDK4
SCHEMBL1735255 0.84 CSNK2A1 (0.60) HRH3MCHR1RIPK2NOD2CDK4
SCHEMBL13605346 0.83 HRH3 (0.56) HRH3MCHR1RIPK2NOD2CDK4
SCHEMBL13605378 0.82 MCHR1 (0.55) HRH3MCHR1RIPK2NOD2CDK4
SCHEMBL1736441 0.81 MCHR1 (0.53) HRH3MCHR1RIPK2NOD2CDK4
SCHEMBL1734449 0.81 MCHR1 (0.53) HRH3MCHR1RIPK2NOD2CDK4
SCHEMBL1735257 0.81 MCHR1 (0.59) HRH3MCHR1RIPK2NOD2CDK4
SCHEMBL1734304 0.81 MCHR1 (0.55) HRH3MCHR1RIPK2NOD2CDK4
SCHEMBL1734488 0.81 HRH3 (0.56) HRH3JAK2JAK3

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
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP claimed