SCHEMBL26488113

SCHEMBL26488113

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 8/20 0.46
CACNA1H O95180 1/20 0.35
IDH1 O75874 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
ACACB O00763 4/20 0.32
GPR88 Q9GZN0 1/20 0.31
SCN9A Q15858 1/20 0.31
MAOA P21397 1/20 0.30

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
SCHEMBL21045696 0.78 TRPC6 (0.57) TRPC6CACNA1HGPR88
SCHEMBL21045688 0.77 TRPC6 (0.56) TRPC6CACNA1HSCN9A
SCHEMBL30439833 0.77 TRPC6 (0.56) TRPC6CACNA1HSCN9A
SCHEMBL23426470 0.76 TRPC6 (0.44) TRPC6SCN9A
SCHEMBL23426476 0.74 TRPC6 (0.45) TRPC6
SCHEMBL23426479 0.72 TRPC6 (0.39) TRPC6MGAMGAASIMGAM2
SCHEMBL23047395 0.70 PDGFRB (0.47) TRPC6
SCHEMBL17811809 0.70 PDE4B (0.40) TRPC6ACACBGPR88MAOA
SCHEMBL17815741 0.70 ACHE (0.49) TRPC6GAAMAOA
SCHEMBL26488081 0.69 PDGFRB (0.47)

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
US-RE49699-E1 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-17 US disclosed