SCHEMBL31342899

SCHEMBL31342899

COc1c(F)cncc1N(c1ccc(OC(F)F)cc1)C1CCN(c2ncc(S(C)(=O)=O)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
GPR119 Q8TDV5 13/20 0.36
CYP3A4 P08684 5/20 0.36
KCNH2 Q12809 2/20 0.33
SLC6A9 P48067 1/20 0.33
KIT P10721 1/20 0.32

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
SCHEMBL31342834 0.86 CYP3A4 (0.40) NR1H2NR1H3GPR119CYP3A4KIT
SCHEMBL31343028 0.82 CYP3A4 (0.38) NR1H2NR1H3GPR119CYP3A4SLC6A9
Hydrochloric Acid SCHEMBL31342952 0.77 ACVR1B (0.32) KCNH2
SCHEMBL31342982 0.77 GPR119 (0.42) GPR119
SCHEMBL31342951 0.76 CYP3A4 (0.41) GPR119CYP3A4KCNH2SLC6A9
SCHEMBL31342893 0.76 CYP3A4 (0.39) NR1H2NR1H3GPR119CYP3A4KCNH2
SCHEMBL31342923 0.75 CYP3A4 (0.52) GPR119CYP3A4
SCHEMBL31342949 0.74 CYP3A4 (0.51) GPR119CYP3A4
SCHEMBL31342995 0.72 CYP3A4 (0.39) GPR119CYP3A4KIT
SCHEMBL31342999 0.70 CYP3A4 (0.53) GPR119CYP3A4

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