SCHEMBL18834232

SCHEMBL18834232

CCOc1nc2c(n1Cc1ccc(Cl)cc1)C(=O)N(CCCO)C(OC)N2C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 11/20 0.43
▸ PDE5A O76074 5/20 0.41
▸ TRPC4 Q9UBN4 2/20 0.38
▸ TRPC5 Q9UL62 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ TRPC1 P48995 1/20 0.35
▸ TP53 P04637 1/20 0.34

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
SCHEMBL19374881 0.89 P2RX3 (0.44) P2RX3PDE5ATRPC4TRPC5KCNH2
SCHEMBL21499684 0.84 P2RX3 (0.44) P2RX3PDE5ATRPC4TRPC5KCNH2
SCHEMBL19505233 0.83 P2RX3 (0.45) P2RX3PDE5ATRPC4TRPC5KCNH2
SCHEMBL21499654 0.81 P2RX3 (0.40) P2RX3PDE5ATRPC4TRPC5KCNH2
SCHEMBL21316262 0.81 P2RX3 (0.41) P2RX3PDE5ATRPC4TRPC5KCNH2
SCHEMBL21499648 0.81 TRPC4 (0.40) P2RX3PDE5ATRPC4TRPC5KCNH2
SCHEMBL18834916 0.79 TRPC4 (0.45) P2RX3TRPC4TRPC5KCNH2TRPC1
SCHEMBL21499715 0.78 P2RX3 (0.36) P2RX3PDE5ATRPC4TRPC5KCNH2
SCHEMBL19505333 0.77 P2RX3 (0.38) P2RX3PDE5ATRPC4TRPC5KCNH2
SCHEMBL19505572 0.77 TRPC4 (0.47) 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-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
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