SCHEMBL31052938

SCHEMBL31052938

[2H]C([2H])(O)CCn1c(=O)c2c(nc(Cl)n2Cc2ccc(Cl)cc2)n(COCC[Si](C)(C)C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 4/20 0.42
▸ TRPC4 Q9UBN4 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ TRPC1 P48995 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ADORA3 P0DMS8 3/20 0.38
▸ TSHR P16473 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ P2RX3 P56373 2/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL18834083 0.93 TRPC5 (0.49) TRPC5TRPC4KCNH2TRPC1SMN1; SMN2
SCHEMBL16076186 0.90 MAPT (0.43) TRPC5TRPC4KCNH2SMN1; SMN2CYP1A2
SCHEMBL19374965 0.85 ADORA3 (0.51) TRPC5TRPC4KCNH2TRPC1HTT
SCHEMBL19505597 0.85 SMN1; SMN2 (0.38) TRPC5TRPC4KCNH2TRPC1SMN1; SMN2
SCHEMBL31052954 0.85 P2RX3 (0.42) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16076175 0.83 ADORA3 (0.50) CYP1A2CYP2C19ADORA3TSHRMAPK1
SCHEMBL31052936 0.80 TRPC4 (0.53) TRPC5TRPC4KCNH2TRPC1SMN1; SMN2
SCHEMBL16028981 0.78 ADORA3 (0.40) HTTADORA3
SCHEMBL31052942 0.78 LMNA (0.49) TRPC5TRPC4KCNH2TRPC1SMN1; SMN2
SCHEMBL555591 0.77 HTT (0.52) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19

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-118373832-B Macrocyclic compound, pharmaceutical composition and application thereof 深圳晶蛋生物医药科技有限公司 2025-01-28 — — CN disclosed
CN-118373832-A Macrocyclic compound, pharmaceutical composition and application thereof 深圳晶蛋生物医药科技有限公司 2024-07-23 — — CN disclosed
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