SCHEMBL19374906

SCHEMBL19374906

CCc1cccc(Oc2nc3c(n2Cc2ccc(Cl)cc2)C(=O)N(CCCO)C(O)N3C)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 7/20 0.49
▸ TRPC4 Q9UBN4 2/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ TRPC1 P48995 1/20 0.47
▸ P2RX3 P56373 11/20 0.39
▸ PTGS1 P23219 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL18835341 0.94 TRPC4 (0.41) TRPC5TRPC4KCNH2TRPC1PTGS1
SCHEMBL20432442 0.93 TRPC5 (0.48) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL19375181 0.93 TRPC5 (0.41) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL22619613 0.93 TRPC5 (0.57) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL19505500 0.92 TRPC5 (0.50) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL19505249 0.91 TRPC5 (0.49) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL19505572 0.90 TRPC4 (0.47) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL18834916 0.89 TRPC4 (0.45) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL24133837 0.87 TRPC5 (0.57) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL21316297 0.85 TRPC4 (0.42) TRPC5TRPC4KCNH2TRPC1P2RX3

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
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