SCHEMBL30439680

SCHEMBL30439680

COc1cc(C(=O)O)ncc1OCC1CC(C(F)(F)F)C1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 8/20 0.59
RBP4 P02753 10/20 0.38
TTR P02766 7/20 0.38

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
SCHEMBL21045745 1.00 TRPC6 (0.59) TRPC6RBP4TTR
SCHEMBL21045712 0.89 TRPC6 (0.58) TRPC6
SCHEMBL30439927 0.89 TRPC6 (0.58) TRPC6
SCHEMBL21045798 0.83 TRPC6 (0.55) TRPC6
SCHEMBL21045875 0.81 TRPC6 (0.56) TRPC6
SCHEMBL21045696 0.80 TRPC6 (0.57) TRPC6
SCHEMBL88281 0.78 TRPC6 (0.49) TRPC6
SCHEMBL26458560 0.76 TRPC6 (0.83) TRPC6
SCHEMBL26458562 0.76 TRPC6 (0.83) TRPC6
SCHEMBL21045779 0.76 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