SCHEMBL8006938

SCHEMBL8006938

CC(C)CC(NC(=O)c1cc2ccccc2s1)C(=O)N1C[C@H]2N(C(=O)CNS(=O)(=O)c3ccc(F)cc3Cl)CC21C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.53
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
CTSK P43235 6/20 0.40
CCR1 P32246 1/20 0.37
UTS2R Q9UKP6 3/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
PIN1 Q13526 3/20 0.36
BMP1 P13497 1/20 0.34

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
SCHEMBL8006828 0.91 TRPV4 (0.51) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL8012364 0.91 TRPV4 (0.49) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL8012366 0.90 TRPV4 (0.54) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL7995567 0.89 TRPV4 (0.42) TRPV4CTSKCCR1PIN1
SCHEMBL4057834 0.86 TRPV4 (0.56) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL8006169 0.85 TRPV4 (0.50) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL8008220 0.84 TRPV4 (0.66) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL8008215 0.83 TRPV4 (0.65) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL8006952 0.83 TRPV4 (0.74) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL8004713 0.83 TRPV4 (0.74) TRPV4TAS1R3TAS1R1CTSKCCR1

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