SCHEMBL20007458

SCHEMBL20007458

CCCC(O)C1(O)CN([S+]([O-])c2ccc(Cl)cn2)C[C@@H]1Oc1ccc(C#N)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 19/20 0.51
KCNH2 Q12809 3/20 0.50
CYP3A4 P08684 2/20 0.50
TRPM8 Q7Z2W7 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL20007330 0.91 TRPV4 (0.52) TRPV4KCNH2CYP3A4TRPM8S1PR3
SCHEMBL23614058 0.89 TRPV4 (0.52) TRPV4KCNH2CYP3A4TRPM8S1PR3
SCHEMBL20007587 0.88 TRPV4 (0.57) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL20007246 0.86 TRPV4 (0.65) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL20007569 0.83 TRPV4 (0.52) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL20007702 0.83 TRPV4 (0.54) TRPV4KCNH2CYP3A4TRPM8S1PR3
SCHEMBL23614050 0.81 TRPV4 (0.51) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL19995710 0.81 TRPV4 (0.74) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL20007457 0.81 TRPV4 (0.74) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL19995711 0.81 TRPV4 (0.74) TRPV4KCNH2CYP3A4TRPM8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515887-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-07-07 EP disclosed
WO-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed