SCHEMBL7942685

SCHEMBL7942685

CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CC2C1CCCN2C(=O)c1cc2ccccc2cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 2/20 0.47
KDM5A P29375 1/20 0.40
CYP51A1 Q16850 1/20 0.40
AKR1C3 P42330 4/20 0.39
DRD2 P14416 1/20 0.39
CCKBR P32239 1/20 0.39
ELANE P08246 2/20 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
HSPA5 P11021 1/20 0.36
HSPA8 P11142 1/20 0.36
HSPA9 P38646 1/20 0.36
HSPA2 P54652 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) STAT6CYP51A1AKR1C3DRD2CCKBR
SCHEMBL7934440 0.89 STAT6 (0.48) STAT6CYP51A1AKR1C3DRD2CCKBR
SCHEMBL7942137 0.88 STAT6 (0.41) STAT6KDM5ACYP51A1AKR1C3DRD2
SCHEMBL14980460 0.88 STAT6 (0.41) STAT6KDM5ACYP51A1AKR1C3DRD2
SCHEMBL14980527 0.88 CYP51A1 (0.41) STAT6KDM5ACYP51A1AKR1C3DRD2
SCHEMBL7934126 0.87 STAT6 (0.48) STAT6CYP51A1AKR1C3DRD2CCKBR
SCHEMBL7933189 0.87 STAT6 (0.42) STAT6KDM5ACYP51A1CCKBR
SCHEMBL14980528 0.86 STAT6 (0.40) STAT6KDM5ACYP51A1AKR1C3DRD2
SCHEMBL1930560 0.85 DRD2 (0.41) STAT6KDM5ACYP51A1AKR1C3DRD2
SCHEMBL19856970 0.85 DRD2 (0.41) STAT6KDM5ACYP51A1AKR1C3DRD2

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-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed