SCHEMBL4539876

SCHEMBL4539876

NCC1CCC(CNC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
PPARG P37231 1/20 0.62
KMT2A Q03164 1/20 0.62
NR2E3 Q9Y5X4 1/20 0.62
NCOR2 Q9Y618 1/20 0.62
MAPT P10636 4/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CHRM4 P08173 2/20 0.49
ALDH1A1 P00352 3/20 0.48
RECQL P46063 1/20 0.46
PKM P14618 2/20 0.45
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL4543049 0.89 MEN1 (0.62) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4565632 0.88 MEN1 (0.60) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4543944 0.87 MEN1 (0.59) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4569596 0.83 MEN1 (0.55) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4541706 0.81 CHRM4 (0.58) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL13707704 0.81 MEN1 (0.64) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4540538 0.80 MEN1 (0.70) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4543932 0.80 MEN1 (0.76) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4540533 0.80 MEN1 (0.75) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4543701 0.80 MEN1 (0.75) MEN1PPARGKMT2ANR2E3NCOR2

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