SCHEMBL31342856

SCHEMBL31342856

CCOC(=O)C1CCC(N(c2ccc(OC(F)F)cc2)c2cnccc2OC)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
ALDH1A1 P00352 6/20 0.39
TSHR P16473 4/20 0.39
MDM2 Q00987 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GAA P10253 4/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM6B O15054 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL31343010 0.88 KDM4C (0.37) POLBMEN1KMT2AKDM6BKDM4C
SCHEMBL31343097 0.84 CYP3A4 (0.40) KDM6BKDM4C
SCHEMBL31342873 0.82 ALDH1A1 (0.42) POLBALDH1A1TSHRGAAKMT2A
SCHEMBL31342987 0.82 ALDH1A1 (0.42) POLBALDH1A1TSHRGAAKMT2A
SCHEMBL31343012 0.80 CYP3A4 (0.43) MEN1KMT2AKDM6BKDM4C
SCHEMBL31342907 0.80 SLC6A2 (0.35) KDM6BKDM4C
SCHEMBL31343033 0.79 CYP3A4 (0.47) POLBALDH1A1TSHRGAAKDM4E
Hydrochloric Acid SCHEMBL31342872 0.79 SLC6A2 (0.34) KDM6BKDM4C
SCHEMBL31342829 0.77 GPR119 (0.43) ALDH1A1MEN1KMT2AHTT
SCHEMBL31342993 0.77 CYP3A4 (0.44) CYP2C9CYP2C19

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