SCHEMBL7995044

SCHEMBL7995044

CC(C)C[C@H](N)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2Cl)C[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.41
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MC4R P32245 6/20 0.37
DPP7 Q9UHL4 1/20 0.36
TSHR P16473 1/20 0.36
HRH1 P35367 1/20 0.35
SLC6A15 Q9H2J7 1/20 0.35
MAPT P10636 1/20 0.35
CCR1 P32246 1/20 0.35

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
SCHEMBL4971936 0.87 TRPV4 (0.47) TRPV4MC4RDPP7HRH1SLC6A15
SCHEMBL4972317 0.81 TRPV4 (0.68) TRPV4CCR1
SCHEMBL8010445 0.81 TRPV4 (0.68) TRPV4CCR1
SCHEMBL5007983 0.81 CCR1 (0.39) TRPV4CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL13994300 0.77 STS (0.45)
SCHEMBL4972801 0.76 TRPV4 (0.69) TRPV4CCR1
SCHEMBL5004460 0.76 TRPV4 (0.53) TRPV4MC4RMAPTCCR1
SCHEMBL13994327 0.74 TRPV4 (0.52) TRPV4CYP3A4MC4RCCR1
SCHEMBL8006832 0.74 TRPV4 (0.58) TRPV4CCR1
SCHEMBL4975527 0.73 TRPV4 (0.66) TRPV4MC4RDPP7HRH1SLC6A15

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