SCHEMBL31634398

SCHEMBL31634398

CCCOC(=O)N1CCC(n2c(S(C)(=O)=O)nc3ccccc32)C(C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ TSHR P16473 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ OPRM1 P35372 3/20 0.37
▸ OPRK1 P41145 3/20 0.37
▸ OGFRL1 Q5TC84 3/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ PDE4B Q07343 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL27349818 0.86 OPRM1 (0.45) OPRM1OPRK1OGFRL1OPRD1
SCHEMBL27349882 0.79 CYP1A2 (0.35) CYP1A2CYP2C19ALDH1A1MAPK1TSHR
SCHEMBL27351552 0.74 CYP1A2 (0.37) CYP1A2CYP2C19ALDH1A1TSHROPRM1
SCHEMBL27349825 0.73 GPR119 (0.42) ALDH1A1MAPK1KDM4ESMN1; SMN2HTT
SCHEMBL27349821 0.73 STS (0.42) —
SCHEMBL27349808 0.73 GPR119 (0.42) —
SCHEMBL31727646 0.73 GPR119 (0.42) —
SCHEMBL27349793 0.73 GPR119 (0.42) —
SCHEMBL27349842 0.72 GPR119 (0.41) —
SCHEMBL27349830 0.72 STS (0.46) MEN1KMT2A

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
CN-120202206-A Cyclic benzimidazole derivatives as cGAS inhibitors 勃林格殷格翰国际有限公司 2025-06-24 — — CN disclosed
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