SCHEMBL8006947

SCHEMBL8006947

CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1C[C@H]2N(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3Cl)CC21C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.45
CCR1 P32246 4/20 0.43
CTSK P43235 4/20 0.38
CASP1 P29466 1/20 0.37
CASP3 P42574 1/20 0.37
PLD2 O14939 1/20 0.36
PLD1 Q13393 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MC4R P32245 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
HTRA1 Q92743 1/20 0.34
PSMB5 P28074 1/20 0.34
PIN1 Q13526 1/20 0.34
GRN P28799 1/20 0.33
SORT1 Q99523 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
SCHEMBL8010542 0.87 TRPV4 (0.44) TRPV4CCR1KMT2A
SCHEMBL4053067 0.85 TRPV4 (0.46) TRPV4CCR1CTSKCASP1CASP3
SCHEMBL8012366 0.82 TRPV4 (0.54) TRPV4CCR1CTSKUTS2RPSMB5
SCHEMBL8006938 0.82 TRPV4 (0.53) TRPV4CCR1CTSKUTS2RPIN1
SCHEMBL8012369 0.81 TRPV4 (0.38) TRPV4CASP3PIN1
SCHEMBL8006828 0.80 TRPV4 (0.51) TRPV4CCR1CTSKUTS2R
SCHEMBL8012364 0.79 TRPV4 (0.49) TRPV4CCR1CTSKUTS2R
SCHEMBL8006169 0.78 TRPV4 (0.50) TRPV4CCR1CTSKUTS2RPIN1
SCHEMBL8008220 0.78 TRPV4 (0.66) TRPV4CCR1CTSKUTS2RPIN1
SCHEMBL8008215 0.77 TRPV4 (0.65) TRPV4CCR1CTSKUTS2RPIN1

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