SCHEMBL31705670

SCHEMBL31705670

CC(C)C(=O)N1CCN(c2ccnc(C(=O)O)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.52
▸ SMO Q99835 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TRPV1 Q8NER1 2/20 0.42
▸ SORD Q00796 4/20 0.42
▸ MET P08581 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GBA1 P04062 1/20 0.40

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
SCHEMBL31704996 0.81 CKS1B (0.55) ALDH1A1KDM4ETSHRSMN1; SMN2SORD
SCHEMBL21880062 0.79 KMO (0.53) ALDH1A1SORDGBA1
SCHEMBL31706098 0.78 CKS1B (0.55) MAP4K4ALDH1A1KDM4ESMN1; SMN2SORD
SCHEMBL31705707 0.77 SORD (0.42) SORDGBA1
SCHEMBL27457780 0.76 PTGER4 (0.45) SORD
SCHEMBL31705458 0.75 CKS1B (0.44) ALDH1A1KDM4ESMN1; SMN2TRPV1SORD
SCHEMBL4546626 0.74 ALDH1A1 (0.74) ALDH1A1KDM4EADRB2TSHRSMN1; SMN2
SCHEMBL1911516 0.71 SLC6A7 (0.53) MAP4K4SMOALDH1A1KDM4EADRB2
SCHEMBL4197090 0.71 HRH3 (0.46) SORD
SCHEMBL23972267 0.70 PANK3 (0.60) MAP4K4SMOALDH1A1KDM4ETSHR

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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