SCHEMBL8007338

SCHEMBL8007338

COc1ccc(S(=O)(=O)NCC(=O)N2CC3(C)[C@H]2CN3C(=O)C(NC(=O)c2cc3ccccc3s2)C(C)(C)C)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.41
CCR1 P32246 1/20 0.36
CLK1 P49759 3/20 0.35
UTS2R Q9UKP6 2/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
STAT6 P42226 4/20 0.34
STAT5A P42229 1/20 0.34
STAT5B P51692 1/20 0.34
MAPK14 Q16539 2/20 0.33
NPY5R Q15761 1/20 0.33
MAPK9 P45984 1/20 0.33
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
SCHEMBL7995567 0.91 TRPV4 (0.42) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL7995564 0.91 TRPV4 (0.42) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL7995230 0.91 TRPV4 (0.41) TRPV4CCR1TAS1R3TAS1R1STAT6
SCHEMBL8004239 0.89 TRPV4 (0.40) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL8007066 0.88 TRPV4 (0.42) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL8007063 0.88 TRPV4 (0.42) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL8007203 0.88 CCR1 (0.39) TRPV4CCR1TAS1R3TAS1R1STAT6
SCHEMBL4052494 0.87 TRPV4 (0.42) TRPV4CCR1CLK1UTS2RTAS1R3
SCHEMBL8006940 0.86 CCR1 (0.37) TRPV4CCR1TAS1R3TAS1R1STAT6
SCHEMBL7995042 0.86 NPY5R (0.42) TRPV4CCR1TAS1R3TAS1R1STAT6

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