SCHEMBL31342876

SCHEMBL31342876

COc1ccncc1N(c1ccc(OC(F)F)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
MGLL Q99685 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
LMNA P02545 1/20 0.39
TRPC6 Q9Y210 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
MAPK7 Q13164 1/20 0.38
CCR3 P51677 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
SCHEMBL31343033 0.94 CYP3A4 (0.47) CYP3A4LMNATRPC6POLBMAPK7
SCHEMBL31342869 0.90 NOS1 (0.43) CYP3A4NOS1NOS2LMNATRPC6
SCHEMBL31343053 0.90 CYP3A4 (0.42) CYP3A4MEN1KMT2ALMNATRPC6
SCHEMBL31342909 0.87 TRPC6 (0.41) CYP3A4NOS1NOS2LMNATRPC6
SCHEMBL31343012 0.84 CYP3A4 (0.43) CYP3A4MEN1KMT2ATRPC6
SCHEMBL31343097 0.84 CYP3A4 (0.40) CYP3A4TRPC6
SCHEMBL31342829 0.83 GPR119 (0.43) CYP3A4MEN1KMT2A
SCHEMBL31343032 0.82 TRPC6 (0.38) CYP3A4TRPC6
SCHEMBL31342935 0.82 CYP3A4 (0.60) CYP3A4MGLLMEN1KMT2ALMNA
SCHEMBL31342930 0.82 TRPC6 (0.39) CYP3A4TRPC6

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