SCHEMBL14730355

SCHEMBL14730355

CC(C)c1noc(N2CCC(NC(=O)c3cnc(N4C[C@H](c5cc(F)ccc5F)[C@@H](N)C4)nc3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
HTR7 P34969 2/20 0.38
HTR1A P08908 1/20 0.38
GPR119 Q8TDV5 7/20 0.37
KDM1A O60341 1/20 0.36
SSTR5 P35346 1/20 0.36
KCNH2 Q12809 2/20 0.36
CCNE1 P24864 3/20 0.36
CDK2 P24941 3/20 0.36
ACKR3 P25106 2/20 0.36
PAK1 Q13153 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
SCHEMBL12064830 0.83 GPR119 (0.41) MCHR1GPR119KCNH2
SCHEMBL470604 0.81 GPR119 (0.49) MCHR1GPR119KCNH2
SCHEMBL14730363 0.81 GPR119 (0.36) GPR119KCNH2
SCHEMBL470653 0.81 GPR119 (0.43) MCHR1GPR119KCNH2
SCHEMBL14730364 0.81 MCHR1 (0.40) MCHR1HTR2ADRD3HTR7KDM1A
SCHEMBL119963 0.80 GPR119 (0.41) MCHR1GPR119KCNH2
SCHEMBL470688 0.79 GPR119 (0.46) MCHR1GPR119KCNH2
SCHEMBL470555 0.79 GPR119 (0.39) MCHR1GPR119KCNH2
SCHEMBL14730361 0.78 GPR119 (0.35) GPR119KCNH2
SCHEMBL461833 0.78 MCHR1 (0.36) MCHR1HTR2AHTR7HTR1AGPR119

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-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed