SCHEMBL31706354

SCHEMBL31706354

COC(=O)c1cc(C2=CCCN(C3COC3)C2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.37
▸ TLR9 Q9NR96 2/20 0.35
▸ TLR8 Q9NR97 2/20 0.35
▸ TLR7 Q9NYK1 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ MERTK Q12866 1/20 0.33

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
SCHEMBL31704665 0.90 TBK1 (0.38) OPRM1TLR9TLR8TLR7ALDH1A1
Lithium Ion SCHEMBL31704679 0.84 OPRM1 (0.34) OPRM1GSK3BDYRK1AHDAC2
Lithium Ion SCHEMBL31704957 0.84 OPRM1 (0.34) OPRM1GSK3BDYRK1AHDAC2
SCHEMBL31705531 0.83 CCNT1 (0.38) OPRM1ALDH1A1CCNT1CDK9
SCHEMBL31706475 0.76 TLR9 (0.47) OPRM1TLR9TLR8TLR7
SCHEMBL31704952 0.75 NR1H2 (0.45) ARCCNT1CDK9
SCHEMBL31705108 0.74 TLR9 (0.42) OPRM1TLR9TLR8TLR7
Lithium Ion SCHEMBL31705265 0.74 TBK1 (0.35) OPRM1ALDH1A1HDAC2
Lithium Ion SCHEMBL31704782 0.74 TBK1 (0.35) OPRM1ALDH1A1HDAC2
SCHEMBL31706532 0.73 MKNK1 (0.48) AXLFLT3TYRO3MERTKWNT1

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
WO-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
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