SCHEMBL31706018

SCHEMBL31706018

O=C(O)c1cncc(N2CCN(CC3COC3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.40
▸ CASP1 P29466 1/20 0.34
▸ CASP4 P49662 1/20 0.34
▸ CASP5 P51878 1/20 0.34
▸ RET P07949 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ FFAR4 Q5NUL3 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
Lithium Ion SCHEMBL31706297 0.88 CASP1 (0.33) CASP1CASP4CASP5RETALDH1A1
Lithium Ion SCHEMBL31705320 0.88 CASP1 (0.33) CASP1CASP4CASP5RETALDH1A1
SCHEMBL31705753 0.86 KDM4E (0.36) RETALDH1A1MAPTMAPK1
SCHEMBL4821896 0.77 KMO (0.55) RBP4KMOALDH1A1
SCHEMBL31706095 0.75 CHRNB2 (0.38) KMOALDH1A1
SCHEMBL6756872 0.75 RBP4 (0.44) RBP4KMOALDH1A1FFAR4
SCHEMBL31078509 0.74 PIM2 (0.47) RBP4ALDH1A1
SCHEMBL10367486 0.73 PIM2 (0.45) RBP4ALDH1A1FFAR4
SCHEMBL20031106 0.69 RBP4 (0.54) RBP4
SCHEMBL31301445 0.69 RBP4 (0.43) RBP4

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