Sugi Predict

Sugi Predict / Compounds / SCHEMBL4056979

SCHEMBL4056979

SCHEMBL4056979

CC(C)(C)C(NC(=O)c1cc2ccccc2s1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.44
▸ CCR1 P32246 1/20 0.39
▸ STAT6 P42226 8/20 0.39
▸ STAT5A P42229 4/20 0.39
▸ STAT5B P51692 3/20 0.39
▸ PIN1 Q13526 4/20 0.39
▸ CCR8 P51685 1/20 0.36
▸ OPRM1 P35372 3/20 0.35

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
SCHEMBL4050589 0.94 TRPV4 (0.44) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4050524 0.93 TRPV4 (0.42) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4052494 0.91 TRPV4 (0.42) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4051924 0.90 TRPV4 (0.42) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4056095 0.89 TRPV4 (0.44) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4051597 0.89 TRPV4 (0.44) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4058747 0.89 CCR1 (0.41) TRPV4CCR1STAT6STAT5ASTAT5B
SCHEMBL4057834 0.89 TRPV4 (0.56) TRPV4CCR1PIN1CCR8
SCHEMBL4056300 0.88 STAT6 (0.42) 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