SCHEMBL31705394

SCHEMBL31705394

COC(=O)c1cc(C2=CCCN(C(=O)C3COC3)C2)cc(C2CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 9/20 0.34
▸ CHRM1 P11229 9/20 0.34
▸ CHRM2 P08172 5/20 0.34
▸ CHRM5 P08912 4/20 0.34
▸ CHRM3 P20309 3/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NAMPT P43490 2/20 0.31
▸ CDK13 Q14004 1/20 0.31
▸ CDK12 Q9NYV4 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL31705400 0.87 CNR2 (0.36) CHRM4CHRM1CHRM2CHRM5CHRM3
Lithium Ion SCHEMBL31705507 0.86 NAMPT (0.30) NAMPTCDK13CDK12
SCHEMBL31705649 0.84 NAMPT (0.42) NAMPT
SCHEMBL31704523 0.81 ALDH1A1 (0.42) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL31704958 0.81 ALDH1A1 (0.42) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL31704684 0.81 NR1H2 (0.40) ALDH1A1NAMPTTHRB
SCHEMBL31705023 0.81 NR1H2 (0.40) ALDH1A1NAMPTTHRB
SCHEMBL31704500 0.78 ALDH1A1 (0.39) GAAALDH1A1NPSR1HCRTR2HPGD
SCHEMBL31705446 0.75 MYC (0.40) ALDH1A1NPSR1HPGD
Lithium Ion SCHEMBL31706036 0.73 MYC (0.33) ALDH1A1NPSR1HPGD

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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