SCHEMBL31705108

SCHEMBL31705108

COC(=O)c1cc(C2CCN(C3COC3)C2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 3/20 0.42
▸ TLR8 Q9NR97 3/20 0.42
▸ TLR7 Q9NYK1 3/20 0.42
▸ MAP3K12 Q12852 9/20 0.41
▸ OPRM1 P35372 5/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39
▸ AGTR2 P50052 1/20 0.37
▸ MGLL Q99685 1/20 0.37

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
SCHEMBL31704593 0.93 MAP3K12 (0.45) TLR9TLR8TLR7MAP3K12OPRM1
SCHEMBL31706475 0.93 TLR9 (0.47) TLR9TLR8TLR7MAP3K12OPRM1
Lithium Ion SCHEMBL31705021 0.85 MAP3K12 (0.39) TLR9TLR8TLR7MAP3K12OPRM1
SCHEMBL31706609 0.80 TLR9 (0.45) TLR9TLR8TLR7MAP3K12
SCHEMBL31704931 0.80 TLR9 (0.45) TLR9TLR8TLR7
Lithium Ion SCHEMBL31704797 0.79 MAP3K12 (0.41) MAP3K12OPRM1KDM2B
Lithium Ion SCHEMBL31706495 0.78 TLR9 (0.43) TLR9TLR8TLR7MAP3K12OPRM1
Lithium Ion SCHEMBL31705410 0.78 TLR9 (0.43) TLR9TLR8TLR7MAP3K12OPRM1
SCHEMBL21633068 0.77 ALDH1A1 (0.47) TLR9TLR8TLR7
SCHEMBL29877530 0.77 ALDH1A1 (0.47) TLR9TLR8TLR7

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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