SCHEMBL4053067

SCHEMBL4053067

CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)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 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.46
CCR1 P32246 3/20 0.43
CTSK P43235 4/20 0.40
KMT2A Q03164 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
PLD2 O14939 1/20 0.39
PLD1 Q13393 1/20 0.39
HTRA1 Q92743 6/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MC4R P32245 1/20 0.37

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
SCHEMBL4049707 0.86 TRPV4 (0.45) TRPV4CCR1KMT2A
SCHEMBL4056496 0.86 TAS1R3 (0.46) TRPV4CTSK
SCHEMBL4049334 0.86 TRPV4 (0.64) TRPV4CCR1CTSK
SCHEMBL19856860 0.86 TRPV4 (0.64) TRPV4CCR1CTSK
SCHEMBL4051572 0.86 TRPV4 (0.64) TRPV4CCR1CTSK
SCHEMBL4059005 0.86 TRPV4 (0.42) TRPV4CCR1CTSKCA1CA2
SCHEMBL4051481 0.86 TRPV4 (0.64) TRPV4CCR1CTSK
SCHEMBL4054443 0.86 TRPV4 (0.46) TRPV4CTSK
SCHEMBL8006947 0.85 TRPV4 (0.45) TRPV4CCR1CTSKKMT2ACASP1
SCHEMBL4051232 0.84 TRPV4 (0.49) TRPV4CCR1KMT2ACASP1HTRA1

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