SCHEMBL1939255

SCHEMBL1939255

Cc1cc(N)ncc1C1CCN(C(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 19/20 0.57
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45

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
SCHEMBL21275517 0.83 TRPC6 (0.44) TRPC6
SCHEMBL21045846 0.83 TRPC6 (0.66) TRPC6
SCHEMBL1807109 0.82 TRPC6 (0.52) TRPC6
SCHEMBL24304702 0.81 TRPC6 (0.46) TRPC6GABRPGABRDGABRA1GABRB1
SCHEMBL21355347 0.80 NOS3 (0.54) TRPC6GABRPGABRDGABRA1GABRB1
SCHEMBL21045832 0.79 TRPC6 (0.61) TRPC6
SCHEMBL21045800 0.79 TRPC6 (0.54) TRPC6
SCHEMBL4615160 0.78 TRPC6 (0.38) TRPC6
SCHEMBL15524740 0.77 OPRL1 (0.41) TRPC6
SCHEMBL28241659 0.76 QDPR (0.38) 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 3 patents. 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
EP-2331526-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-06-15 EP disclosed
WO-2009158431-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-12-30 WO disclosed