SCHEMBL16364030

SCHEMBL16364030

C=C1c2c(nc(Oc3cccc(OC(F)(F)F)c3)n2Cc2ccc(Cl)cc2)N(Cc2ccccn2)C(=O)N1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 5/20 0.47
▸ TRPC4 Q9UBN4 2/20 0.47
▸ TRPC1 P48995 1/20 0.47
▸ P2RX3 P56373 4/20 0.39
▸ KCNH2 Q12809 4/20 0.36
▸ SCN5A Q14524 3/20 0.36
▸ SCN9A Q15858 3/20 0.36
▸ CHRM5 P08912 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ ENPP2 Q13822 2/20 0.36
▸ GNRHR P30968 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ KCNN4 O15554 1/20 0.34

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
SCHEMBL20432257 0.82 TRPC5 (0.50) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL18834616 0.79 TRPC4 (0.41) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL18834891 0.79 TRPC5 (0.48) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL16364000 0.79 TRPC5 (0.48) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL18834618 0.78 TRPC5 (0.54) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL18834234 0.78 TRPC5 (0.43) TRPC5TRPC4TRPC1P2RX3CHRM5
SCHEMBL16028138 0.76 TRPC5 (0.67) TRPC5TRPC4TRPC1KCNH2
SCHEMBL18833767 0.75 TRPC5 (0.51) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL21332542 0.75 TRPC5 (0.52) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL30642043 0.74 TRPC5 (0.53) TRPC5TRPC4TRPC1P2RX3KCNH2

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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