SCHEMBL470525

SCHEMBL470525

CC(C)c1noc(N2CCC(N(C)Cc3cnc(N4C[C@H](NC(=O)OC(C)(C)C)[C@@H](c5cc(F)ccc5F)C4)nc3)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.36
KCNH2 Q12809 2/20 0.35
NR1H2 P55055 3/20 0.34
NTRK1 P04629 4/20 0.34
NR1H3 Q13133 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACKR3 P25106 1/20 0.32
GPR183 P32249 1/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL12064975 0.89 GPR119 (0.39) GPR119KCNH2NR1H2NTRK1CYP3A4
SCHEMBL470479 0.87 GPR119 (0.36) GPR119KCNH2NR1H2NTRK1CYP3A4
SCHEMBL14730327 0.85 GPR119 (0.35) GPR119KCNH2NR1H2NR1H3CYP3A4
SCHEMBL149964 0.85 GPR119 (0.38) GPR119KCNH2NR1H2NTRK1CYP3A4
SCHEMBL149963 0.85 GPR119 (0.38) GPR119KCNH2NR1H2NTRK1CYP3A4
SCHEMBL149962 0.85 GPR119 (0.38) GPR119KCNH2NR1H2NTRK1CYP3A4
SCHEMBL14730205 0.85 NTRK1 (0.34) GPR119NR1H2NTRK1NR1H3ACKR3
SCHEMBL470743 0.84 GPR119 (0.36) GPR119KCNH2NR1H2NTRK1CYP3A4
SCHEMBL14730167 0.84 GPR119 (0.37) GPR119KCNH2NR1H2NR1H3CYP3A4
SCHEMBL470534 0.83 GPR119 (0.41) GPR119KCNH2NTRK1GPR183

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed