SCHEMBL31705531

SCHEMBL31705531

COC(=O)c1cc(C2=CCN(C3COC3)CC2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 12/20 0.38
▸ CDK9 P50750 12/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ OPRM1 P35372 5/20 0.36
▸ SOS1 Q07889 1/20 0.36
▸ ATR Q13535 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
SCHEMBL31704665 0.89 TBK1 (0.38) ALDH1A1OPRM1
SCHEMBL31706770 0.86 ALDH1A1 (0.42) CCNT1CDK9ALDH1A1SMN1; SMN2SOS1
Lithium Ion SCHEMBL31705586 0.84 ALDH1A1 (0.38) CCNT1CDK9ALDH1A1SMN1; SMN2OPRM1
Lithium Ion SCHEMBL31706302 0.84 ALDH1A1 (0.38) CCNT1CDK9ALDH1A1SMN1; SMN2OPRM1
SCHEMBL31706354 0.83 OPRM1 (0.37) CCNT1CDK9ALDH1A1OPRM1
SCHEMBL31704732 0.83 CCNT1 (0.44) CCNT1CDK9ALDH1A1SMN1; SMN2
SCHEMBL31704866 0.77 NAMPT (0.49) CCNT1CDK9ALDH1A1SMN1; SMN2
SCHEMBL31706475 0.75 TLR9 (0.47) OPRM1
SCHEMBL18764101 0.74 QDPR (0.45) CCNT1CDK9ALDH1A1
SCHEMBL31706474 0.74 PIK3CD (0.44) CCNT1CDK9ALDH1A1

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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