SCHEMBL19374704

SCHEMBL19374704

CN1c2nc(Oc3ccc(C(F)(F)F)cc3)n(Cc3ccc(Cl)cc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.42
▸ TRPC5 Q9UL62 2/20 0.42
▸ TRPC1 P48995 1/20 0.42
▸ KCNH2 Q12809 1/20 0.40
▸ P2RX3 P56373 17/20 0.39
▸ NPBWR1 P48145 1/20 0.37

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
SCHEMBL18834916 0.93 TRPC4 (0.45) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL19505396 0.92 TRPC4 (0.41) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL20432022 0.91 TRPC4 (0.42) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL21316297 0.90 TRPC4 (0.42) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL19505572 0.89 TRPC4 (0.47) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL21499677 0.86 TRPC5 (0.51) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL19375568 0.86 TRPC4 (0.43) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL21499669 0.86 TRPC5 (0.49) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL21499648 0.86 TRPC4 (0.40) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL22619613 0.85 TRPC5 (0.57) TRPC4TRPC5TRPC1KCNH2P2RX3

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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