SCHEMBL4539869

SCHEMBL4539869

O=C(NC1CCNCC1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MEN1 O00255 1/20 0.58
PPARG P37231 1/20 0.58
KMT2A Q03164 1/20 0.58
NR2E3 Q9Y5X4 1/20 0.58
NCOR2 Q9Y618 1/20 0.58
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.47
GAA P10253 2/20 0.43
GRM4 Q14833 1/20 0.43
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
CHRM4 P08173 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4565675 0.87 MAPT (0.58) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4543049 0.86 MEN1 (0.62) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL13707643 0.82 MAPT (0.54) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4569647 0.82 MAPT (0.55) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4540543 0.78 MAPT (0.66) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4539654 0.78 MAPT (0.66) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4543836 0.77 CYP1A2 (0.78) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4542470 0.77 MAPT (0.66) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4544052 0.77 MAPT (0.66) MAPTNPSR1CYP2C9CYP2C19CYP1A2
SCHEMBL4542879 0.77 MAPT (0.65) MAPTNPSR1CYP2C9CYP2C19CYP1A2

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-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed