SCHEMBL4053125

SCHEMBL4053125

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.65
▸ CCR1 P32246 1/20 0.41
▸ STAT6 P42226 7/20 0.37
▸ PIN1 Q13526 2/20 0.37
▸ STAT5A P42229 4/20 0.36
▸ STAT5B P51692 3/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 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
SCHEMBL4050277 0.93 TRPV4 (0.56) TRPV4CCR1STAT6PIN1STAT5A
SCHEMBL4050161 0.93 TRPV4 (0.56) TRPV4CCR1STAT6PIN1STAT5A
SCHEMBL4049701 0.93 TRPV4 (0.65) TRPV4CCR1STAT6PIN1STAT5A
SCHEMBL4060306 0.91 TRPV4 (0.55) TRPV4CCR1STAT6PIN1STAT5A
SCHEMBL4055755 0.90 TRPV4 (0.80) TRPV4CCR1PIN1OPRM1NPY5R
SCHEMBL19856867 0.90 TRPV4 (0.80) TRPV4CCR1PIN1OPRM1NPY5R
SCHEMBL4056670 0.90 TRPV4 (0.80) TRPV4CCR1PIN1OPRM1NPY5R
SCHEMBL4054373 0.90 TRPV4 (0.80) TRPV4CCR1PIN1OPRM1NPY5R
SCHEMBL4061326 0.90 TRPV4 (0.55) TRPV4CCR1STAT6PIN1STAT5A
SCHEMBL4053522 0.88 TRPV4 (0.51) TRPV4CCR1STAT6PIN1STAT5A

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
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