SCHEMBL470479

SCHEMBL470479

CC(C)c1noc(N2CCC([C@H](C)Nc3cnc(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 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.36
NTRK1 P04629 4/20 0.35
KCNH2 Q12809 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR1H2 P55055 1/20 0.34
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33

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
SCHEMBL149962 0.89 GPR119 (0.38) GPR119NTRK1KCNH2CYP3A4CYP2C19
SCHEMBL149963 0.89 GPR119 (0.38) GPR119NTRK1KCNH2CYP3A4CYP2C19
SCHEMBL149964 0.89 GPR119 (0.38) GPR119NTRK1KCNH2CYP3A4CYP2C19
SCHEMBL470743 0.88 GPR119 (0.36) GPR119NTRK1KCNH2CYP3A4CYP2C19
SCHEMBL12064975 0.88 GPR119 (0.39) GPR119NTRK1KCNH2CYP3A4CYP2C19
SCHEMBL470525 0.87 GPR119 (0.36) GPR119NTRK1KCNH2CYP3A4CYP2C19
SCHEMBL12064983 0.86 GPR119 (0.36) GPR119KCNH2CYP3A4CYP2C19NR1H2
SCHEMBL121467 0.85 GPR119 (0.38) GPR119NTRK1KCNH2
SCHEMBL149552 0.85 GPR119 (0.38) GPR119NTRK1KCNH2
SCHEMBL470534 0.85 GPR119 (0.41) GPR119NTRK1KCNH2

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