SCHEMBL8006828

SCHEMBL8006828

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.51
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
CTSS P25774 2/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 7/20 0.38
UTS2R Q9UKP6 4/20 0.37
CCR1 P32246 1/20 0.35
CTSL P07711 1/20 0.33

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
SCHEMBL8006938 0.91 TRPV4 (0.53) TRPV4TAS1R3TAS1R1CTSSCTSB
SCHEMBL8004239 0.90 TRPV4 (0.40) TRPV4CTSSCTSBCTSKCCR1
SCHEMBL8012364 0.88 TRPV4 (0.49) TRPV4TAS1R3TAS1R1CTSSCTSB
SCHEMBL8012366 0.88 TRPV4 (0.54) TRPV4TAS1R3TAS1R1CTSSCTSB
SCHEMBL4059049 0.87 TRPV4 (0.53) TRPV4TAS1R3TAS1R1CTSSCTSB
SCHEMBL8006169 0.82 TRPV4 (0.50) TRPV4TAS1R3TAS1R1CTSSCTSB
SCHEMBL8008220 0.82 TRPV4 (0.66) TRPV4TAS1R3TAS1R1CTSSCTSB
SCHEMBL8008215 0.81 TRPV4 (0.65) TRPV4TAS1R3TAS1R1CTSSCTSB
SCHEMBL8006952 0.81 TRPV4 (0.74) TRPV4TAS1R3TAS1R1CTSSCTSB
SCHEMBL8004713 0.81 TRPV4 (0.74) TRPV4TAS1R3TAS1R1CTSSCTSB

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