SCHEMBL18834886

SCHEMBL18834886

Cc1ccc(Cn2c(CCCOc3cccc(OC(F)(F)F)c3)nc3c2c(=O)n(CCCO)c(=O)n3C)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 15/20 0.68
▸ TRPC4 Q9UBN4 2/20 0.68
▸ TRPC1 P48995 1/20 0.68
▸ KCNH2 Q12809 1/20 0.54
▸ PCSK9 Q8NBP7 1/20 0.49
▸ TSHR P16473 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41

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
SCHEMBL16028300 0.94 TRPC5 (0.78) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL19375488 0.93 TRPC5 (0.67) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16028242 0.87 TRPC5 (0.88) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16076248 0.87 TRPC5 (0.67) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16076033 0.85 TRPC5 (0.84) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16028303 0.85 TRPC5 (0.73) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16364002 0.84 TRPC5 (0.77) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL19505498 0.84 TRPC5 (0.63) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16028261 0.84 TRPC5 (0.69) TRPC5TRPC4TRPC1KCNH2PCSK9
SCHEMBL16028365 0.84 TRPC5 (0.65) 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 2 patents. 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
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
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