SCHEMBL8006147

SCHEMBL8006147

CC(C)CC(NC(=O)c1cc2ccccc2s1)C(=O)N1C[C@H]2N(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Cl)cc3Cl)CC21C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.64
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
PSMB5 P28074 3/20 0.41
CTSK P43235 5/20 0.39
PIN1 Q13526 1/20 0.38
CCR1 P32246 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
TACR2 P21452 3/20 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
SCHEMBL8004713 0.94 TRPV4 (0.74) TRPV4TAS1R3TAS1R1CTSKPIN1
SCHEMBL8006952 0.94 TRPV4 (0.74) TRPV4TAS1R3TAS1R1CTSKPIN1
SCHEMBL8008223 0.92 TRPV4 (0.64) TRPV4TAS1R3TAS1R1CTSKPIN1
SCHEMBL8008220 0.92 TRPV4 (0.66) TRPV4TAS1R3TAS1R1CTSKPIN1
SCHEMBL8008215 0.92 TRPV4 (0.65) TRPV4TAS1R3TAS1R1CTSKPIN1
SCHEMBL4058684 0.88 TRPV4 (0.69) TRPV4TAS1R3TAS1R1PSMB5CTSK
SCHEMBL8012366 0.82 TRPV4 (0.54) TRPV4TAS1R3TAS1R1PSMB5CTSK
SCHEMBL8006938 0.82 TRPV4 (0.53) TRPV4TAS1R3TAS1R1CTSKPIN1
SCHEMBL8010544 0.81 TRPV4 (0.52) TRPV4TAS1R3TAS1R1CTSKPIN1
SCHEMBL8007205 0.81 TRPV4 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed