SCHEMBL31343010

SCHEMBL31343010

COc1ccncc1N(c1ccc(OC(F)F)cc1)C1CCC(C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.37
KDM6B O15054 2/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
ABL1 P00519 2/20 0.34
TSPO P30536 3/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 1/20 0.34
OPRK1 P41145 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
POLB P06746 1/20 0.33
TRPC6 Q9Y210 1/20 0.33

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
SCHEMBL31342856 0.88 POLB (0.40) KDM4CKDM6BMEN1KMT2APOLB
SCHEMBL31342987 0.86 ALDH1A1 (0.42) KDM4CKDM6BLMNAKMT2APOLB
SCHEMBL31342873 0.86 ALDH1A1 (0.42) KDM4CKDM6BLMNAKMT2APOLB
SCHEMBL31343012 0.84 CYP3A4 (0.43) KDM4CKDM6BMEN1KMT2ATRPC6
SCHEMBL31343097 0.84 CYP3A4 (0.40) KDM4CKDM6BTRPC6
SCHEMBL31342907 0.84 SLC6A2 (0.35) KDM4CKDM6B
SCHEMBL31343033 0.83 CYP3A4 (0.47) LMNAPOLBTRPC6
Hydrochloric Acid SCHEMBL31342872 0.83 SLC6A2 (0.34) KDM4CKDM6B
SCHEMBL31342829 0.81 GPR119 (0.43) MEN1KMT2AGPBAR1
SCHEMBL31342993 0.80 CYP3A4 (0.44)

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