SCHEMBL7942667

SCHEMBL7942667

Cc1ccc(C)c(C(=O)N2CCCC3[C@H]2CN3C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.44
CYP51A1 Q16850 1/20 0.40
DRD2 P14416 1/20 0.39
CCKBR P32239 1/20 0.39
CCR1 P32246 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
AKR1C3 P42330 4/20 0.37
KDM5A P29375 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL7945427 0.90 STAT6 (0.45) STAT6CYP51A1DRD2CCKBRF2
SCHEMBL7942670 0.89 STAT6 (0.43) STAT6CYP51A1DRD2CCKBRF2
SCHEMBL7934440 0.89 STAT6 (0.48) STAT6CYP51A1DRD2CCKBRF2
SCHEMBL14980442 0.89 STAT6 (0.48) STAT6CYP51A1DRD2CCKBRF2
SCHEMBL7941646 0.87 STAT6 (0.45) STAT6CYP51A1DRD2CCKBRCCR1
SCHEMBL7934126 0.87 STAT6 (0.48) STAT6CYP51A1DRD2CCKBRCCR1
SCHEMBL7942838 0.86 STAT6 (0.44) STAT6CYP51A1DRD2CCKBRCCR1
SCHEMBL7945428 0.86 STAT6 (0.44) STAT6CYP51A1DRD2CCKBRCCR1
SCHEMBL19856897 0.85 DRD2 (0.41) STAT6CYP51A1DRD2CCKBRCCR1
SCHEMBL19856899 0.85 DRD2 (0.41) STAT6CYP51A1DRD2CCKBRCCR1

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-2010011912-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed