SCHEMBL7945425

SCHEMBL7945425

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C1CCCN2C(=O)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 5/20 0.42
CYP51A1 Q16850 5/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
CRHR1 P34998 1/20 0.37
PYGL P06737 1/20 0.37
STAT5A P42229 2/20 0.37
STAT5B P51692 1/20 0.37
DRD2 P14416 2/20 0.37
CCKBR P32239 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
PTGES O14684 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 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
SCHEMBL7942838 0.93 STAT6 (0.44) STAT6CYP51A1PYGLDRD2CCKBR
SCHEMBL7941646 0.91 STAT6 (0.45) STAT6CYP51A1PYGLDRD2CCKBR
SCHEMBL7933535 0.90 STAT6 (0.43) STAT6CYP51A1PYGLDRD2CCKBR
SCHEMBL7941012 0.88 STAT6 (0.47) STAT6CYP51A1PYGLDRD2CCKBR
SCHEMBL7945428 0.88 STAT6 (0.44) STAT6CYP51A1PYGLDRD2CCKBR
SCHEMBL19856946 0.87 DRD2 (0.38) STAT6CYP51A1HCRTR1HCRTR2CRHR1
SCHEMBL19856948 0.87 DRD2 (0.38) STAT6CYP51A1HCRTR1HCRTR2CRHR1
SCHEMBL14980442 0.87 STAT6 (0.48) STAT6CYP51A1DRD2CCKBR
SCHEMBL7934440 0.87 STAT6 (0.48) STAT6CYP51A1DRD2CCKBR
SCHEMBL7941160 0.85 STAT6 (0.45) STAT6CYP51A1PYGLDRD2CCKBR

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