SCHEMBL31342869

SCHEMBL31342869

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
MAPK7 Q13164 1/20 0.42
CYP3A4 P08684 5/20 0.42
FASN P49327 1/20 0.39
GRM3 Q14832 1/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
PRKAB2 O43741 2/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA2 P54646 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAG3 Q9UGI9 2/20 0.38
PRKAG2 Q9UGJ0 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
TRPC6 Q9Y210 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38

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 0.92 CYP3A4 (0.47) MAPK7CYP3A4TRPC6TSHRLMNA
SCHEMBL31342876 0.90 CYP3A4 (0.51) NOS1NOS2MAPK7CYP3A4TRPC6
SCHEMBL31343053 0.87 CYP3A4 (0.42) MAPK7CYP3A4TRPC6P2RX7LMNA
SCHEMBL31342909 0.85 TRPC6 (0.41) NOS1NOS2MAPK7CYP3A4TRPC6
SCHEMBL31343012 0.82 CYP3A4 (0.43) CYP3A4TRPC6
SCHEMBL31343097 0.82 CYP3A4 (0.40) CYP3A4TRPC6
SCHEMBL31342842 0.82 CYP3A4 (0.40) CYP3A4CYP2C9
SCHEMBL31342995 0.82 CYP3A4 (0.39) CYP3A4CYP2C9
SCHEMBL31342829 0.81 GPR119 (0.43) CYP3A4
SCHEMBL31342935 0.80 CYP3A4 (0.60) MAPK7CYP3A4TSHRLMNA

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