SCHEMBL31343012

SCHEMBL31343012

COc1ccncc1N(c1ccc(OC(F)F)cc1)C1CCN(C(=O)C2CCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPC6 Q9Y210 1/20 0.37
NAMPT P43490 6/20 0.37
CCR5 P51681 2/20 0.37
KDM6B O15054 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL31342987 0.89 ALDH1A1 (0.42) CYP3A4KMT2AKDM6BKDM4C
SCHEMBL31342873 0.89 ALDH1A1 (0.42) CYP3A4KMT2AKDM6BKDM4C
SCHEMBL31343033 0.88 CYP3A4 (0.47) CYP3A4TRPC6
SCHEMBL31343097 0.88 CYP3A4 (0.40) CYP3A4TRPC6CCR5KDM6BKDM4C
SCHEMBL31342878 0.87 CYP3A4 (0.51) CYP3A4MEN1KMT2A
SCHEMBL31342829 0.86 GPR119 (0.43) CYP3A4MEN1KMT2A
SCHEMBL31343032 0.85 TRPC6 (0.38) CYP3A4TRPC6CCR5
SCHEMBL31342876 0.84 CYP3A4 (0.51) CYP3A4MEN1KMT2ATRPC6
SCHEMBL31342930 0.84 TRPC6 (0.39) CYP3A4TRPC6CCR5
SCHEMBL31343010 0.84 KDM4C (0.37) MEN1KMT2ATRPC6KDM6BKDM4C

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