SCHEMBL31342878

SCHEMBL31342878

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

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.51
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL31342935 0.88 CYP3A4 (0.60) CYP3A4MEN1KMT2A
SCHEMBL31343092 0.88 EPHX2 (0.49) CYP3A4EPHX2
SCHEMBL31343012 0.87 CYP3A4 (0.43) CYP3A4MEN1KMT2A
SCHEMBL31342921 0.86 CYP3A4 (0.52) CYP3A4MEN1KMT2A
SCHEMBL31342880 0.86 CYP3A4 (0.52) CYP3A4MEN1KMT2A
SCHEMBL31342826 0.84 CYP3A4 (0.48) CYP3A4
SCHEMBL31343031 0.83 CYP3A4 (0.48) CYP3A4
SCHEMBL31343001 0.83 CYP3A4 (0.47) CYP3A4
SCHEMBL31343078 0.83 CYP3A4 (0.47) CYP3A4
SCHEMBL31342948 0.82 CYP3A4 (0.59) 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