SCHEMBL18834504

SCHEMBL18834504

Cn1c(=O)n(CCCO)c(=O)c2c1nc(-c1cccc(C(C)(F)F)c1)n2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 7/20 0.51
TRPC4 Q9UBN4 2/20 0.51
KCNH2 Q12809 1/20 0.51
TRPC1 P48995 1/20 0.51
BRAF P15056 1/20 0.48
PIK3CG P48736 1/20 0.48
ADORA3 P0DMS8 2/20 0.47
HPGD P15428 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PCSK9 Q8NBP7 1/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL16076060 0.94 TRPC5 (0.52) TRPC5TRPC4KCNH2TRPC1BRAF
SCHEMBL16027905 0.90 TRPC5 (0.54) TRPC5TRPC4KCNH2TRPC1BRAF
SCHEMBL31466659 0.90 TRPC5 (0.54) TRPC5TRPC4KCNH2TRPC1BRAF
SCHEMBL16028882 0.88 TRPC5 (0.54) TRPC5TRPC4KCNH2TRPC1BRAF
SCHEMBL31466662 0.88 TRPC5 (0.54) TRPC5TRPC4KCNH2TRPC1BRAF
SCHEMBL16028313 0.87 TRPC5 (0.52) TRPC5TRPC4KCNH2TRPC1BRAF
SCHEMBL30171340 0.87 TRPC5 (0.53) TRPC5TRPC4KCNH2TRPC1PCSK9
SCHEMBL16076080 0.87 TRPC5 (0.53) TRPC5TRPC4KCNH2TRPC1PCSK9
SCHEMBL31466621 0.86 TRPC5 (0.67) TRPC5TRPC4KCNH2TRPC1BRAF
SCHEMBL16028318 0.86 TRPC5 (0.67) TRPC5TRPC4KCNH2TRPC1BRAF

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
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 EP disclosed