SCHEMBL4054443

SCHEMBL4054443

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.46
CTSK P43235 14/20 0.46
CTSS P25774 10/20 0.46
CTSB P07858 4/20 0.46
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
CTSL P07711 11/20 0.42
CTSV O60911 2/20 0.39
MMP2 P08253 1/20 0.39
UTS2R Q9UKP6 1/20 0.39

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
SCHEMBL4053067 0.86 TRPV4 (0.46) TRPV4CTSK
SCHEMBL4049334 0.86 TRPV4 (0.64) TRPV4CTSKCTSSCTSBTAS1R3
SCHEMBL4051572 0.86 TRPV4 (0.64) TRPV4CTSKCTSSCTSBTAS1R3
SCHEMBL19856860 0.86 TRPV4 (0.64) TRPV4CTSKCTSSCTSBTAS1R3
SCHEMBL4051481 0.86 TRPV4 (0.64) TRPV4CTSKCTSSCTSBTAS1R3
SCHEMBL4049707 0.84 TRPV4 (0.45) TRPV4CTSSCTSL
SCHEMBL4056496 0.84 TAS1R3 (0.46) TRPV4CTSKCTSSTAS1R3TAS1R1
SCHEMBL4055158 0.83 NPC1 (0.38) CTSKCTSSCTSBTAS1R3TAS1R1
SCHEMBL4051232 0.82 TRPV4 (0.49) TRPV4
SCHEMBL7995251 0.82 TRPV4 (0.45) TRPV4CTSKCTSSCTSBTAS1R3

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