SCHEMBL31705062

SCHEMBL31705062

COC(=O)c1cc(N2CCN(C(=O)C3COC3)CC2)cc(C2CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 5/20 0.36
▸ TP53 P04637 3/20 0.36
▸ TLR9 Q9NR96 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ SUV39H2 Q9H5I1 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL31705035 0.87 MAPT (0.39) ALDH1A1SMN1; SMN2MAPTTP53TDP1
Lithium Ion SCHEMBL31706481 0.85 TDP1 (0.37) ALDH1A1SMN1; SMN2MAPTTP53TDP1
SCHEMBL31704742 0.80 GPR119 (0.44) ALDH1A1SMN1; SMN2MAPTSUV39H2LMNA
SCHEMBL31706340 0.79 TP53BP1 (0.42) ALDH1A1GAAHTTSMN1; SMN2MAPT
SCHEMBL31705825 0.78 PLAT (0.41) HRH3KDM4EMEN1KMT2A
SCHEMBL31706809 0.78 PLAT (0.41) HRH3KDM4EMEN1KMT2A
SCHEMBL31705105 0.78 CHRM4 (0.37) ALDH1A1SMN1; SMN2NAMPTKDM4EMEN1
SCHEMBL31706352 0.74 HRH3 (0.38) ALDH1A1GAAHTTSMN1; SMN2MAPT
SCHEMBL31705168 0.74 ATM (0.43) ALDH1A1GAAHTTSMN1; SMN2MAPT
SCHEMBL31705444 0.73 CRBN (0.46) ALDH1A1GAAHTTSMN1; SMN2MAPT

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
Send feedback