SCHEMBL19375613

SCHEMBL19375613

CCn1c(=O)n(CCCO)c(=O)c2c1nc(Oc1cccc(OC(F)(F)F)c1)n2Cc1ccc(N)cn1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 14/20 0.61
TRPC4 Q9UBN4 2/20 0.61
TRPC1 P48995 1/20 0.61
KCNH2 Q12809 1/20 0.48
LMNA P02545 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
PCSK9 Q8NBP7 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL16028131 0.91 TRPC5 (0.70) TRPC5TRPC4TRPC1KCNH2LMNA
SCHEMBL16028504 0.88 TRPC5 (0.69) TRPC5TRPC4TRPC1KCNH2LMNA
SCHEMBL16027677 0.85 TRPC5 (0.74) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16027848 0.85 TRPC5 (0.69) TRPC5TRPC4TRPC1KCNH2LMNA
SCHEMBL16028767 0.84 TRPC5 (0.85) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16027658 0.84 TRPC5 (0.81) TRPC5TRPC4TRPC1KCNH2LMNA
SCHEMBL16028349 0.83 TRPC5 (0.66) TRPC5TRPC4TRPC1KCNH2LMNA
SCHEMBL19375046 0.83 TRPC5 (0.71) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL19375572 0.82 TRPC5 (0.59) TRPC5TRPC4TRPC1KCNH2LMNA
SCHEMBL16028601 0.82 TRPC5 (0.79) TRPC5TRPC4TRPC1KCNH2LMNA

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-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 EP disclosed