SCHEMBL4060306

SCHEMBL4060306

C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C(NC(=O)c1cc2ccccc2s1)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.55
CCR1 P32246 1/20 0.44
STAT6 P42226 7/20 0.38
STAT5A P42229 3/20 0.37
STAT5B P51692 2/20 0.37
NPY5R Q15761 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
OPRM1 P35372 2/20 0.35
PIN1 Q13526 1/20 0.35
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4061326 0.93 TRPV4 (0.55) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4049701 0.91 TRPV4 (0.65) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4053125 0.91 TRPV4 (0.65) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4050277 0.89 TRPV4 (0.56) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4050161 0.89 TRPV4 (0.56) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4049808 0.88 TRPV4 (0.70) TRPV4CCR1NPY5RTAS1R3TAS1R1
SCHEMBL4053522 0.88 TRPV4 (0.51) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL8010544 0.86 TRPV4 (0.52) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL19856913 0.83 STAT6 (0.45) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4050801 0.83 TRPV4 (0.68) TRPV4CCR1NPY5RTAS1R3TAS1R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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