SCHEMBL31342834

SCHEMBL31342834

COc1ccncc1N(c1ccc(OC(F)F)cc1)C1CCN(c2ncc(S(C)(=O)=O)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.40
GPR119 Q8TDV5 10/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
KIT P10721 1/20 0.36
GPR6 P46095 1/20 0.34

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
SCHEMBL31343028 0.94 CYP3A4 (0.38) CYP3A4GPR119NR1H2NR1H3KIT
SCHEMBL31342951 0.90 CYP3A4 (0.41) CYP3A4GPR119GPR6
SCHEMBL31342893 0.90 CYP3A4 (0.39) CYP3A4GPR119NR1H2NR1H3GPR6
SCHEMBL31342923 0.89 CYP3A4 (0.52) CYP3A4GPR119GPR6
SCHEMBL31342949 0.88 CYP3A4 (0.51) CYP3A4GPR119
SCHEMBL31342899 0.86 NR1H2 (0.37) CYP3A4GPR119NR1H2NR1H3KIT
SCHEMBL31342995 0.86 CYP3A4 (0.39) CYP3A4GPR119KITGPR6
SCHEMBL31342779 0.85 CYP3A4 (0.44) CYP3A4GPR119
SCHEMBL31342993 0.83 CYP3A4 (0.44) CYP3A4
SCHEMBL31342917 0.83 LMNA (0.41) CYP3A4

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