SCHEMBL18833719

SCHEMBL18833719

C=C1c2c(nc(Oc3cccc(P)c3)n2CC2NC=C(C)S2)N(C)C(=O)N1CCCO

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.31
▸ TRPC4 Q9UBN4 1/20 0.31
▸ TRPC5 Q9UL62 1/20 0.31

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
SCHEMBL19375602 0.72 ADORA3 (0.43) KCNH2TRPC4TRPC5
SCHEMBL18833575 0.68 — —
SCHEMBL18834023 0.68 TRPC5 (0.54) KCNH2TRPC4TRPC5
SCHEMBL18835375 0.66 TRPC5 (0.54) KCNH2TRPC4TRPC5
SCHEMBL18834235 0.66 TRPC5 (0.53) KCNH2TRPC4TRPC5
SCHEMBL16364003 0.65 TRPC4 (0.41) KCNH2TRPC4TRPC5
SCHEMBL19375435 0.64 P2RX3 (0.30) —
SCHEMBL18834605 0.64 TRPC5 (0.36) TRPC4TRPC5
SCHEMBL18834534 0.64 P2RX3 (0.42) KCNH2TRPC4TRPC5
SCHEMBL18834247 0.63 P2RX3 (0.35) —

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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