SCHEMBL31705910

SCHEMBL31705910

CCOC(=O)c1cnc(C2CCN(C(C)=O)CC2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.48
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
REV1 Q9UBZ9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
PDE10A Q9Y233 1/20 0.39
MAPT P10636 1/20 0.39
OGA O60502 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL21381077 0.90 HCRTR2 (0.48) HCRTR2ALDH1A1TSHRGAAHTT
SCHEMBL23159723 0.87 HCRTR2 (0.55) HCRTR2ALDH1A1TSHRGAAHTT
SCHEMBL21381143 0.85 ALDH1A1 (0.52) HCRTR2ALDH1A1TSHRGAAHTT
SCHEMBL15889436 0.84 HCRTR2 (0.51) HCRTR2ALDH1A1TSHRGAAHTT
SCHEMBL15896608 0.83 HCRTR2 (0.50) HCRTR2ALDH1A1GAAHTTHSD17B10
SCHEMBL31704564 0.82 HDAC3 (0.43) ALDH1A1HSD17B10REV1PDE10AHDAC3
SCHEMBL8626081 0.82 SMN1; SMN2 (0.51) HCRTR2ALDH1A1TSHRGAAHTT
SCHEMBL15376745 0.81 HCRTR2 (0.55) HCRTR2ALDH1A1TSHRGAAHTT
SCHEMBL23512730 0.81 HCRTR2 (0.48) HCRTR2ALDH1A1TSHRGAAHTT
SCHEMBL23512733 0.81 HCRTR2 (0.48) HCRTR2ALDH1A1TSHRGAAHTT

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