SCHEMBL20007435

SCHEMBL20007435

C=C1CCN([S+]([O-])c2ccc(C(F)(F)F)cc2C#N)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
SLC6A9 P48067 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23613867 0.73 TRPV4 (0.37)
SCHEMBL23613854 0.72 TRPV4 (0.38) SLC6A9
SCHEMBL23176333 0.72 TRPV4 (0.38) SLC6A9
SCHEMBL23176420 0.72 CYP11B2 (0.35)
SCHEMBL23613934 0.71 TRPV4 (0.37)
SCHEMBL20007251 0.71 TRPV4 (0.42)
SCHEMBL23614042 0.70 TRPV4 (0.32) SLC6A9TSHRSMN1; SMN2
SCHEMBL23613975 0.70 TRPV4 (0.32) SLC6A9
SCHEMBL23614029 0.68 TRPV4 (0.32) SLC6A9SMN1; SMN2
SCHEMBL23613886 0.64 AR (0.37)

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-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed