SCHEMBL16364002

SCHEMBL16364002

Cn1c(=O)n(CCCO)c(=O)c2c1nc(CCc1cccc(OC(F)(F)F)c1)n2Cc1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 14/20 0.77
▸ TRPC4 Q9UBN4 2/20 0.77
▸ TRPC1 P48995 1/20 0.77
▸ KCNH2 Q12809 1/20 0.64
▸ PCSK9 Q8NBP7 2/20 0.55
▸ P2RX3 P56373 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ HIF1A Q16665 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 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
SCHEMBL16364025 0.98 TRPC5 (0.74) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16364028 0.97 TRPC5 (0.73) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL30171229 0.93 TRPC5 (0.76) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16076046 0.93 TRPC5 (0.76) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16028300 0.91 TRPC5 (0.78) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16028953 0.90 TRPC5 (0.79) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL19374971 0.90 TRPC5 (0.71) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16363496 0.90 TRPC5 (0.62) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16028258 0.89 TRPC5 (0.82) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16364254 0.89 TRPC5 (0.60) TRPC5TRPC4TRPC1KCNH2PCSK9

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
WO-2014143799-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-12-24 — — WO disclosed
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