SCHEMBL31704593

SCHEMBL31704593

COC(=O)c1cc(C2CCCN(C3COC3)C2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 2/20 0.45
▸ KDM2B Q8NHM5 2/20 0.44
▸ PROKR1 Q8TCW9 7/20 0.41
▸ OPRM1 P35372 5/20 0.40
▸ TLR9 Q9NR96 2/20 0.38
▸ TLR8 Q9NR97 2/20 0.38
▸ TLR7 Q9NYK1 2/20 0.38

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
SCHEMBL31705108 0.93 TLR9 (0.42) MAP3K12KDM2BOPRM1TLR9TLR8
SCHEMBL31706475 0.86 TLR9 (0.47) MAP3K12OPRM1TLR9TLR8TLR7
Lithium Ion SCHEMBL31704797 0.86 MAP3K12 (0.41) MAP3K12KDM2BPROKR1OPRM1
Lithium Ion SCHEMBL31705021 0.79 MAP3K12 (0.39) MAP3K12KDM2BOPRM1TLR9TLR8
SCHEMBL31704701 0.76 PDE4B (0.50) PROKR1
SCHEMBL31704931 0.76 TLR9 (0.45) TLR9TLR8TLR7
SCHEMBL21633068 0.75 ALDH1A1 (0.47) TLR9TLR8TLR7
SCHEMBL29877530 0.75 ALDH1A1 (0.47) TLR9TLR8TLR7
SCHEMBL31706134 0.75 LRRK2 (0.43) OPRM1TLR9TLR8TLR7
SCHEMBL31706609 0.73 TLR9 (0.45) MAP3K12TLR9TLR8TLR7

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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