SCHEMBL8007063

SCHEMBL8007063

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N1C[C@H]2N(C(=O)CNS(=O)(=O)c3cc(Cl)ccc3Cl)CC21C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.42
CCR1 P32246 2/20 0.41
NPY5R Q15761 1/20 0.36
STAT6 P42226 6/20 0.35
STAT5A P42229 3/20 0.35
STAT5B P51692 2/20 0.35
OPRM1 P35372 3/20 0.34
PIN1 Q13526 1/20 0.34
CTSK P43235 1/20 0.34
DPP4 P27487 1/20 0.34
CCR8 P51685 1/20 0.33

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
SCHEMBL8007066 1.00 TRPV4 (0.42) TRPV4CCR1NPY5RSTAT6STAT5A
SCHEMBL7995230 0.94 TRPV4 (0.41) TRPV4CCR1NPY5RSTAT6STAT5A
SCHEMBL8005360 0.92 STAT6 (0.39) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL8007251 0.90 TRPV4 (0.39) TRPV4CCR1NPY5RSTAT6STAT5A
SCHEMBL8007203 0.90 CCR1 (0.39) TRPV4CCR1NPY5RSTAT6STAT5A
SCHEMBL7995564 0.90 TRPV4 (0.42) TRPV4CCR1NPY5RSTAT6STAT5A
SCHEMBL7995567 0.90 TRPV4 (0.42) TRPV4CCR1NPY5RSTAT6STAT5A
SCHEMBL8012366 0.89 TRPV4 (0.54) TRPV4CCR1NPY5RPIN1CTSK
SCHEMBL8006940 0.89 CCR1 (0.37) TRPV4CCR1NPY5RSTAT6STAT5A
SCHEMBL7995042 0.89 NPY5R (0.42) TRPV4CCR1NPY5RSTAT6STAT5A

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-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed