SCHEMBL20432022

SCHEMBL20432022

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.42
▸ TRPC5 Q9UL62 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ P2RX3 P56373 18/20 0.41
▸ TRPC1 P48995 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
SCHEMBL18834916 0.95 TRPC4 (0.45) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL21499680 0.92 P2RX3 (0.39) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL21316297 0.92 TRPC4 (0.42) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL19505572 0.91 TRPC4 (0.47) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL19374704 0.91 TRPC4 (0.42) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL19375398 0.90 P2RX3 (0.38) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL19375568 0.90 TRPC4 (0.43) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL20432432 0.89 PDE5A (0.37) TRPC5P2RX3
SCHEMBL21499648 0.88 TRPC4 (0.40) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL19505503 0.88 TRPC4 (0.39) TRPC4TRPC5KCNH2P2RX3TRPC1

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-B3 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2018-08-01 — — EP disclosed
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