SCHEMBL31342857

SCHEMBL31342857

COc1ccncc1N(c1ccc(F)cc1)C1CCN(c2ncc(C#N)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.46
GPR6 P46095 2/20 0.38
TACR3 P29371 2/20 0.37
RORC P51449 1/20 0.36
KIT P10721 4/20 0.36
GPR119 Q8TDV5 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
TNIK Q9UKE5 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
SCHEMBL31343043 0.92 CYP3A4 (0.52) CYP3A4
SCHEMBL31342995 0.89 CYP3A4 (0.39) CYP3A4GPR6TACR3KITGPR119
SCHEMBL31342844 0.88 CYP3A4 (0.44) CYP3A4
SCHEMBL31343024 0.86 CYP3A4 (0.41) CYP3A4GPR6GPR119TNIK
SCHEMBL31342866 0.85 CYP3A4 (0.40) CYP3A4GPR6KITCHRNB4CHRNA3
SCHEMBL31342892 0.82 CYP3A4 (0.51) CYP3A4
SCHEMBL31342795 0.81 CYP3A4 (0.53) CYP3A4GPR119
SCHEMBL31342879 0.78 CYP3A4 (0.43) CYP3A4GPR119
SCHEMBL31342913 0.78 CYP3A4 (0.40) CYP3A4TACR3KITGPR119
Hydrochloric Acid SCHEMBL31342830 0.77 SLC6A2 (0.40) CHRNB4CHRNA3

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