SCHEMBL31342826

SCHEMBL31342826

COc1ccncc1N(c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)C23CC(C2)C3)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.48
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MDM2 Q00987 1/20 0.37

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
SCHEMBL31343031 0.90 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19
SCHEMBL31343078 0.89 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19
SCHEMBL31343001 0.89 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19
SCHEMBL31343032 0.88 TRPC6 (0.38) CYP3A4
SCHEMBL31342933 0.87 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19MDM2
SCHEMBL31342935 0.86 CYP3A4 (0.60) CYP3A4
SCHEMBL31342878 0.84 CYP3A4 (0.51) CYP3A4
SCHEMBL31342921 0.83 CYP3A4 (0.52) CYP3A4
SCHEMBL31342880 0.83 CYP3A4 (0.52) CYP3A4
SCHEMBL31342948 0.80 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19

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