SCHEMBL30149292

SCHEMBL30149292

Cn1c(=O)n(CCCCO)c(=O)c2c1nc(C#CCOC1CCC1)n2Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 7/20 0.53
▸ TRPC4 Q9UBN4 2/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ TP53 P04637 1/20 0.49
▸ TRPC1 P48995 1/20 0.49
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HTT P42858 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ P2RX3 P56373 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ THRB P10828 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ HIF1A Q16665 1/20 0.40

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
SCHEMBL30149537 0.97 TRPC5 (0.55) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149487 0.96 TRPC5 (0.55) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149383 0.95 TRPC5 (0.55) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149370 0.94 TRPC4 (0.49) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149481 0.93 NPSR1 (0.47) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149376 0.92 TRPC5 (0.55) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149359 0.91 TRPC4 (0.43) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149460 0.91 TRPC5 (0.54) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149483 0.90 NPSR1 (0.48) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL30149462 0.89 TRPC5 (0.46) TRPC5TRPC4KCNH2TRPC1P2RX3

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
CN-115636831-B Fused pyrimidinediones, their use and pharmaceutical compositions 中国药科大学 2024-11-08 — — CN disclosed
CN-115636831-A Fused pyrimidinediones, their use and pharmaceutical compositions 中国药科大学 2023-01-24 — — CN disclosed
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