SCHEMBL30439331

SCHEMBL30439331

COc1cc(C(=O)O)ncc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPC6 Q9Y210 12/20 0.45
MAPK7 Q13164 2/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL21045708 1.00 MEN1 (0.45) MEN1KMT2ATRPC6MAPK7MCHR1
SCHEMBL30439314 0.87 TRPC6 (0.56) TRPC6
SCHEMBL21045625 0.87 TRPC6 (0.56) TRPC6
SCHEMBL21045700 0.86 TRPC6 (0.54) TRPC6
SCHEMBL30439705 0.86 TRPC6 (0.54) TRPC6
SCHEMBL21045670 0.85 TRPC6 (0.56) TRPC6
SCHEMBL21085409 0.84 TRPC6 (0.47) TRPC6
SCHEMBL21045627 0.84 TTR (0.57) TRPC6
SCHEMBL21045884 0.83 TRPC6 (0.54) TRPC6
SCHEMBL21045905 0.82 TRPC6 (0.56) TRPC6

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
CN-111527078-B Pyridinecarbonyl derivatives and their therapeutic use as TRPC6 inhibitors 勃林格殷格翰国际公司 2023-06-02 CN disclosed