SCHEMBL19374820

SCHEMBL19374820

CCOc1nc2c(n1Cc1ccc(Cl)cc1)C1OC1N(CCCO)C(=O)N2C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 16/20 0.42
▸ TRPC4 Q9UBN4 2/20 0.39
▸ TRPC5 Q9UL62 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TRPC1 P48995 1/20 0.36
▸ TP53 P04637 1/20 0.33

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
SCHEMBL19375127 0.82 TRPC5 (0.59) P2RX3TRPC4TRPC5KCNH2TRPC1
SCHEMBL18834830 0.76 TRPC4 (0.43) P2RX3TRPC4TRPC5KCNH2TRPC1
SCHEMBL18835150 0.76 MAPT (0.31) —
SCHEMBL18834232 0.75 P2RX3 (0.43) P2RX3TRPC4TRPC5KCNH2TRPC1
SCHEMBL19374881 0.74 P2RX3 (0.44) P2RX3TRPC4TRPC5KCNH2TP53
SCHEMBL21499684 0.73 P2RX3 (0.44) P2RX3TRPC4TRPC5KCNH2TP53
SCHEMBL19505233 0.73 P2RX3 (0.45) P2RX3TRPC4TRPC5KCNH2
SCHEMBL21499650 0.71 PDE5A (0.41) P2RX3
SCHEMBL19505412 0.68 TRPC4 (0.41) P2RX3TRPC4TRPC5KCNH2TRPC1
SCHEMBL20432150 0.68 TRPC4 (0.39) P2RX3TRPC4TRPC5KCNH2TRPC1

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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