SCHEMBL18834872

SCHEMBL18834872

Cn1c(=O)n(CCCO)c(=O)c2c1nc(CCCCO)n2Cc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 5/20 0.65
▸ TRPC4 Q9UBN4 2/20 0.65
▸ KCNH2 Q12809 1/20 0.65
▸ TP53 P04637 1/20 0.61
▸ TRPC1 P48995 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ MAPT P10636 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TSHR P16473 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL16028393 0.97 TRPC5 (0.66) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16028784 0.93 TRPC5 (0.64) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16076222 0.92 TRPC5 (0.60) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16028537 0.90 TRPC5 (0.63) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16068298 0.89 TRPC5 (0.60) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16028290 0.88 TRPC5 (0.60) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL21316308 0.88 TRPC5 (0.60) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL18834134 0.87 TRPC5 (0.58) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16028240 0.87 TRPC5 (0.76) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL19505245 0.86 TRPC5 (0.57) TRPC5TRPC4KCNH2TP53TRPC1

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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