SCHEMBL4050589

SCHEMBL4050589

Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C(NC(=O)c2cc3ccccc3s2)C(C)(C)C)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.44
CCR1 P32246 1/20 0.40
STAT6 P42226 7/20 0.38
STAT5A P42229 3/20 0.38
STAT5B P51692 2/20 0.38
NPY5R Q15761 2/20 0.38
CCR8 P51685 1/20 0.37
PIN1 Q13526 2/20 0.36
OPRM1 P35372 2/20 0.34
OPRD1 P41143 1/20 0.34
OPRL1 P41146 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 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
SCHEMBL4053522 0.94 TRPV4 (0.51) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4056979 0.94 TRPV4 (0.44) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4050524 0.93 TRPV4 (0.42) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4052494 0.92 TRPV4 (0.42) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4051924 0.91 TRPV4 (0.42) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4053906 0.90 NPY5R (0.48) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4051597 0.90 TRPV4 (0.44) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4056095 0.90 TRPV4 (0.44) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4058747 0.90 CCR1 (0.41) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4053892 0.90 STAT6 (0.40) TRPV4CCR1STAT6STAT5ASTAT5B

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