SCHEMBL16474116

SCHEMBL16474116

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CC2C1CCCN2C(=O)c1cncs1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 4/20 0.45
CYP51A1 Q16850 1/20 0.39
DRD2 P14416 1/20 0.38
CCKBR P32239 2/20 0.38
AKR1C3 P42330 5/20 0.38
KDM5A P29375 1/20 0.38
HSPA5 P11021 1/20 0.37
HSPA8 P11142 1/20 0.37
HSPA9 P38646 1/20 0.37
HSPA2 P54652 1/20 0.37
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
STAT5A P42229 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
SCHEMBL14980442 0.89 STAT6 (0.48) STAT6CYP51A1DRD2CCKBRAKR1C3
SCHEMBL7934440 0.89 STAT6 (0.48) STAT6CYP51A1DRD2CCKBRAKR1C3
SCHEMBL1930850 0.87 STAT6 (0.40) STAT6CYP51A1DRD2AKR1C3KDM5A
SCHEMBL7934126 0.86 STAT6 (0.48) STAT6CYP51A1DRD2CCKBRAKR1C3
SCHEMBL7942685 0.85 STAT6 (0.47) STAT6CYP51A1DRD2CCKBRAKR1C3
SCHEMBL7941160 0.84 STAT6 (0.45) STAT6CYP51A1DRD2CCKBRHRH4
SCHEMBL7945427 0.84 STAT6 (0.45) STAT6CYP51A1DRD2CCKBRAKR1C3
SCHEMBL7941646 0.83 STAT6 (0.45) STAT6CYP51A1DRD2CCKBRAKR1C3
SCHEMBL14980460 0.82 STAT6 (0.41) STAT6CYP51A1DRD2CCKBRAKR1C3
SCHEMBL7943270 0.82 STAT6 (0.48) STAT6CYP51A1DRD2CCKBRAKR1C3

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-2312947-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2014-01-01 EP disclosed