SCHEMBL31342829

SCHEMBL31342829

COc1ccncc1N(c1ccc(OC(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
STS P08842 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
DYRK1A Q13627 1/20 0.40
HTT P42858 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
SCHEMBL31343048 0.90 GPR119 (0.44) GPR119CYP3A4MEN1KMT2A
SCHEMBL31342908 0.89 GPR119 (0.46) GPR119CYP3A4MEN1KMT2A
SCHEMBL31342885 0.88 MEN1 (0.52) GPR119ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL31342921 0.88 CYP3A4 (0.52) GPR119CYP3A4MEN1KMT2AGPBAR1
SCHEMBL31342880 0.88 CYP3A4 (0.52) GPR119CYP3A4MEN1KMT2AGPBAR1
SCHEMBL31343033 0.87 CYP3A4 (0.47) ALDH1A1CYP3A4HTT
SCHEMBL31343012 0.86 CYP3A4 (0.43) CYP3A4MEN1KMT2A
SCHEMBL31343097 0.86 CYP3A4 (0.40) CYP3A4
SCHEMBL31342982 0.85 GPR119 (0.42) GPR119ALDH1A1MEN1KMT2AHTT
SCHEMBL31343093 0.84 GPR119 (0.52) GPR119

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-2025049495-A1 TERTIARY PYRIDYL AMINE MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYLINATION GENENTECH, INC. (US) 2025-03-06 WO disclosed