SCHEMBL18834889

SCHEMBL18834889

Cn1c(=O)n(CCCOC2CCCCO2)c(=O)c2c1nc([S@+]([O-])Cc1cccc(OC(F)(F)F)c1)n2Cc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 4/20 0.54
▸ TRPC4 Q9UBN4 2/20 0.54
▸ TRPC1 P48995 1/20 0.54
▸ KCNH2 Q12809 1/20 0.44
▸ P2RX3 P56373 14/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ PCSK9 Q8NBP7 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
SCHEMBL16028596 1.00 TRPC5 (0.54) TRPC5TRPC4TRPC1KCNH2P2RX3
SCHEMBL16079049 0.88 TRPC5 (0.60) TRPC5TRPC4TRPC1KCNH2P2RX3
SCHEMBL16028314 0.87 TRPC5 (0.53) TRPC5TRPC4TRPC1KCNH2P2RX3
SCHEMBL16079032 0.87 TRPC5 (0.59) TRPC5TRPC4TRPC1KCNH2P2RX3
SCHEMBL16079047 0.86 TRPC5 (0.54) TRPC5TRPC4TRPC1KCNH2P2RX3
SCHEMBL16076240 0.86 TRPC5 (0.63) TRPC5TRPC4TRPC1KCNH2P2RX3
SCHEMBL16079033 0.86 TRPC5 (0.62) TRPC5TRPC4TRPC1KCNH2P2RX3
SCHEMBL16079039 0.86 TRPC5 (0.56) TRPC5TRPC4TRPC1KCNH2P2RX3
SCHEMBL16027820 0.85 TRPC5 (0.73) TRPC5TRPC4TRPC1KCNH2P2RX3
SCHEMBL16028464 0.85 TRPC5 (0.57) TRPC5TRPC4TRPC1KCNH2P2RX3

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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