SCHEMBL7941646

SCHEMBL7941646

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C1CCCN2C(=O)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.45
CYP51A1 Q16850 4/20 0.41
DRD2 P14416 1/20 0.40
CCKBR P32239 1/20 0.40
HSD11B1 P28845 1/20 0.39
CCR1 P32246 1/20 0.39
PYGL P06737 2/20 0.39
HRH4 Q9H3N8 1/20 0.38
AKR1C3 P42330 3/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38

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
SCHEMBL7945428 0.94 STAT6 (0.44) STAT6CYP51A1DRD2CCKBRCCR1
SCHEMBL7942838 0.94 STAT6 (0.44) STAT6CYP51A1DRD2CCKBRCCR1
SCHEMBL7941166 0.91 STAT6 (0.43) STAT6CYP51A1DRD2CCKBRCCR1
SCHEMBL7933535 0.91 STAT6 (0.43) STAT6CYP51A1DRD2CCKBRCCR1
SCHEMBL7945425 0.91 STAT6 (0.42) STAT6CYP51A1DRD2CCKBRPYGL
SCHEMBL14980442 0.91 STAT6 (0.48) STAT6CYP51A1DRD2CCKBRHRH4
SCHEMBL7934440 0.91 STAT6 (0.48) STAT6CYP51A1DRD2CCKBRHRH4
SCHEMBL7941165 0.90 STAT6 (0.46) STAT6CYP51A1DRD2AKR1C3
SCHEMBL7941012 0.90 STAT6 (0.47) STAT6CYP51A1DRD2CCKBRPYGL
SCHEMBL7941160 0.89 STAT6 (0.45) STAT6CYP51A1DRD2CCKBRHSD11B1

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