SCHEMBL19375563

SCHEMBL19375563

C=C1N(CCCO)C(=O)c2c(nc(Oc3ccccc3CC)n2Cc2ccc(Cl)cc2)N1CC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 14/20 0.39
▸ TRPC4 Q9UBN4 2/20 0.39
▸ TRPC5 Q9UL62 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TRPC1 P48995 1/20 0.36
▸ P2RX3 P56373 3/20 0.36
▸ SCN9A Q15858 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
SCHEMBL18834945 0.81 TRPC4 (0.39) PDE5ATRPC4TRPC5KCNH2TRPC1
SCHEMBL19375494 0.78 TRPC4 (0.43) PDE5ATRPC4TRPC5KCNH2TRPC1
SCHEMBL19375124 0.78 TRPC4 (0.37) PDE5ATRPC4TRPC5KCNH2TRPC1
SCHEMBL19375187 0.77 TRPC4 (0.44) PDE5ATRPC4TRPC5KCNH2TRPC1
SCHEMBL19375611 0.74 TRPC4 (0.41) PDE5ATRPC4TRPC5KCNH2TRPC1
SCHEMBL19375436 0.74 P2RX7 (0.35) PDE5ATRPC4TRPC5KCNH2TRPC1
SCHEMBL16028200 0.73 TRPC5 (0.60) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL16028737 0.72 TRPC5 (0.71) TRPC4TRPC5KCNH2TRPC1
SCHEMBL19375040 0.72 RAB9A (0.36) P2RX3
SCHEMBL18834254 0.72 TRPC4 (0.40) PDE5ATRPC4TRPC5KCNH2TRPC1

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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