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SCHEMBL4056498

SCHEMBL4056498

CC(C)(C)C(NC(=O)c1cc2ccccc2s1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 8/20 0.42
▸ STAT5A P42229 4/20 0.42
▸ STAT5B P51692 3/20 0.42
▸ CCR1 P32246 1/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.39
▸ MCL1 Q07820 6/20 0.36
▸ MCHR1 Q99705 1/20 0.36

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
SCHEMBL4056300 1.00 STAT6 (0.42) STAT6STAT5ASTAT5BCCR1TRPV4
SCHEMBL4051597 0.92 TRPV4 (0.44) STAT6STAT5ASTAT5BCCR1TRPV4
SCHEMBL4056095 0.92 TRPV4 (0.44) STAT6STAT5ASTAT5BCCR1TRPV4
SCHEMBL4050524 0.91 TRPV4 (0.42) STAT6STAT5ASTAT5BCCR1TRPV4
SCHEMBL4056979 0.88 TRPV4 (0.44) STAT6STAT5ASTAT5BCCR1TRPV4
SCHEMBL4053522 0.87 TRPV4 (0.51) STAT6STAT5ASTAT5BCCR1TRPV4
SCHEMBL4050589 0.87 TRPV4 (0.44) STAT6STAT5ASTAT5BCCR1TRPV4
SCHEMBL4058747 0.87 CCR1 (0.41) STAT6STAT5ASTAT5BCCR1TRPV4
SCHEMBL8005360 0.87 STAT6 (0.39) STAT6STAT5ASTAT5BCCR1TRPV4
SCHEMBL4052860 0.86 NPY5R (0.47) STAT6STAT5ASTAT5BCCR1TRPV4

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