SCHEMBL4049707

SCHEMBL4049707

CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
PHGDH O43175 12/20 0.38
CCR1 P32246 2/20 0.36
F10 P00742 1/20 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
SCHEMBL4053067 0.86 TRPV4 (0.46) TRPV4KMT2ACCR1
SCHEMBL8010542 0.86 TRPV4 (0.44) TRPV4MEN1KMT2ACTSLCTSS
SCHEMBL4049334 0.84 TRPV4 (0.64) TRPV4CTSSCCR1
SCHEMBL4056496 0.84 TAS1R3 (0.46) TRPV4CTSLCTSS
SCHEMBL4051572 0.84 TRPV4 (0.64) TRPV4CTSSCCR1
SCHEMBL4051481 0.84 TRPV4 (0.64) TRPV4CTSSCCR1
SCHEMBL19856860 0.84 TRPV4 (0.64) TRPV4CTSSCCR1
SCHEMBL4054443 0.84 TRPV4 (0.46) TRPV4CTSLCTSS
SCHEMBL4051232 0.82 TRPV4 (0.49) TRPV4MEN1KMT2ACCR1
SCHEMBL8004208 0.82 TRPV4 (0.43) TRPV4MEN1KMT2ACTSLCTSS

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