SCHEMBL18834584

SCHEMBL18834584

CNc1c(NCc2ccc(Cl)cc2)c(=O)n(CCCO)c(=O)n1C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 17/20 0.50
▸ TP53 P04637 1/20 0.46
▸ KCNH2 Q12809 1/20 0.43
▸ TRPC4 Q9UBN4 1/20 0.43
▸ ADRA2A P08913 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL19375348 0.88 TRPC5 (0.47) TRPC5MAPT
SCHEMBL18834573 0.85 TRPC5 (0.51) TRPC5TP53KCNH2TRPC4ADRA2A
SCHEMBL19375583 0.83 MAPT (0.37) TRPC5TP53ADRA2AMAPT
SCHEMBL19375320 0.81 ALDH1A1 (0.39) TP53ADRA2AMAPT
SCHEMBL20432550 0.78 TRPC5 (0.48) TRPC5TP53KCNH2TRPC4
SCHEMBL18834990 0.78 ALDH1A1 (0.48) TRPC5TP53KCNH2TRPC4MAPT
SCHEMBL18833873 0.76 MAPT (0.49) TP53MAPT
SCHEMBL19374929 0.75 P2RX3 (0.41) TRPC5TP53KCNH2TRPC4ADRA2A
SCHEMBL19374943 0.73 TRPC5 (0.40) TRPC5TP53KCNH2TRPC4ADRA2A
SCHEMBL18833893 0.73 ALDH1A1 (0.43) TRPC5TP53KCNH2TRPC4MAPT

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 2 patents. 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
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
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