SCHEMBL7945428

SCHEMBL7945428

CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C1CCCN2C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.44
ALOX15 P16050 1/20 0.42
CYP51A1 Q16850 6/20 0.41
PYGL P06737 2/20 0.41
SMYD3 Q9H7B4 1/20 0.40
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
CCKBR P32239 1/20 0.39
CCR1 P32246 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

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
SCHEMBL7942838 0.94 STAT6 (0.44) STAT6ALOX15CYP51A1PYGLSMYD3
SCHEMBL7941646 0.94 STAT6 (0.45) STAT6CYP51A1PYGLSMYD3DRD2
SCHEMBL7941166 0.93 STAT6 (0.43) STAT6ALOX15CYP51A1PYGLDRD2
SCHEMBL7941165 0.92 STAT6 (0.46) STAT6ALOX15CYP51A1DRD3DRD2
SCHEMBL7941160 0.90 STAT6 (0.45) STAT6ALOX15CYP51A1PYGLSMYD3
SCHEMBL14980442 0.89 STAT6 (0.48) STAT6CYP51A1DRD2CCKBRF2
SCHEMBL7934440 0.89 STAT6 (0.48) STAT6CYP51A1DRD2CCKBRF2
SCHEMBL7945425 0.88 STAT6 (0.42) STAT6CYP51A1PYGLSMYD3DRD3
SCHEMBL7933535 0.88 STAT6 (0.43) STAT6CYP51A1PYGLDRD2CCKBR
SCHEMBL7942666 0.87 STAT6 (0.42) STAT6ALOX15CYP51A1PYGLSMYD3

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