SCHEMBL19375606

SCHEMBL19375606

Cc1ccc(Oc2nc3c(n2Cc2ccc(Cl)cn2)C(=O)N(CCCO)C(O)N3C)cc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 19/20 0.37
▸ KCNH2 Q12809 1/20 0.33
▸ TRPC4 Q9UBN4 1/20 0.33
▸ TRPC5 Q9UL62 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
SCHEMBL20432382 0.91 TRPC5 (0.40) P2RX3KCNH2TRPC4TRPC5
SCHEMBL21316297 0.89 TRPC4 (0.42) P2RX3KCNH2TRPC4TRPC5
SCHEMBL18834916 0.85 TRPC4 (0.45) P2RX3KCNH2TRPC4TRPC5
SCHEMBL21499681 0.84 P2RX3 (0.40) P2RX3KCNH2TRPC4TRPC5
SCHEMBL18834470 0.82 TRPC5 (0.35) P2RX3TRPC5
SCHEMBL20432022 0.81 TRPC4 (0.42) P2RX3KCNH2TRPC4TRPC5
SCHEMBL19505572 0.81 TRPC4 (0.47) P2RX3KCNH2TRPC4TRPC5
SCHEMBL21499674 0.80 TRPC4 (0.41) P2RX3KCNH2TRPC4TRPC5
SCHEMBL18834542 0.80 P2RX3 (0.31) P2RX3
SCHEMBL19505249 0.79 TRPC5 (0.49) P2RX3KCNH2TRPC4TRPC5

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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