SCHEMBL4058684

SCHEMBL4058684

CC(C)CC(NC(=O)c1cc2ccccc2s1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.69
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
PSMB5 P28074 2/20 0.44
CTSK P43235 5/20 0.42
PIN1 Q13526 1/20 0.40
CCR1 P32246 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
TACR2 P21452 3/20 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
SCHEMBL4055755 0.93 TRPV4 (0.80) TRPV4TAS1R3TAS1R1CTSKPIN1
SCHEMBL19856867 0.93 TRPV4 (0.80) TRPV4TAS1R3TAS1R1CTSKPIN1
SCHEMBL4054373 0.93 TRPV4 (0.80) TRPV4TAS1R3TAS1R1CTSKPIN1
SCHEMBL4056670 0.93 TRPV4 (0.80) TRPV4TAS1R3TAS1R1CTSKPIN1
SCHEMBL4049808 0.92 TRPV4 (0.70) TRPV4TAS1R3TAS1R1CTSKPIN1
SCHEMBL4056819 0.92 TRPV4 (0.69) TRPV4TAS1R3TAS1R1CTSKPIN1
SCHEMBL4050801 0.91 TRPV4 (0.68) TRPV4TAS1R3TAS1R1CTSKPIN1
SCHEMBL4050161 0.90 TRPV4 (0.56) TRPV4PSMB5PIN1CCR1CTSB
SCHEMBL4049701 0.89 TRPV4 (0.65) TRPV4TAS1R3TAS1R1CTSKPIN1
SCHEMBL4051481 0.88 TRPV4 (0.64) TRPV4TAS1R3TAS1R1CTSKPIN1

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