SCHEMBL31342873

SCHEMBL31342873

COc1ccncc1N(c1ccc(OC(F)F)cc1)[C@H]1CC[C@H](C(=O)N2CCOCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
KDM6B O15054 1/20 0.35
KDM4C Q9H3R0 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
SCHEMBL31342987 1.00 ALDH1A1 (0.42) ALDH1A1POLBLMNAKDM4ECYP3A4
SCHEMBL31343012 0.89 CYP3A4 (0.43) CYP3A4KMT2AKDM6BKDM4C
SCHEMBL31343010 0.86 KDM4C (0.37) POLBLMNAKMT2AKDM6BKDM4C
SCHEMBL31343097 0.83 CYP3A4 (0.40) CYP3A4KDM6BKDM4C
SCHEMBL31343033 0.82 CYP3A4 (0.47) ALDH1A1POLBLMNAKDM4ECYP3A4
SCHEMBL31342856 0.82 POLB (0.40) ALDH1A1POLBKDM4EGAAHTT
SCHEMBL31342829 0.80 GPR119 (0.43) ALDH1A1CYP3A4HTTKMT2A
SCHEMBL31342993 0.80 CYP3A4 (0.44) CYP3A4
SCHEMBL31343032 0.80 TRPC6 (0.38) ALDH1A1CYP3A4
SCHEMBL31342907 0.78 SLC6A2 (0.35) CYP3A4KDM6BKDM4C

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