SCHEMBL470595

SCHEMBL470595

CC(C)COC(=O)N1CCC([C@H](C)Oc2cnc(N3C[C@H](C4=CC(F)CC=C4F)[C@@H](N)C3)nc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
PIK3CD O00329 2/20 0.31
MMP13 P45452 1/20 0.31
ACACB O00763 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL470836 0.92 GPR119 (0.35) GPR119MMP13
SCHEMBL12064765 0.89 HRH3 (0.33) GPR119ACACB
SCHEMBL12064600 0.82 GPR119 (0.39) GPR119
SCHEMBL12064604 0.80
SCHEMBL470690 0.77 ALOX5AP (0.32)
SCHEMBL470643 0.77 ALOX5AP (0.31)
SCHEMBL470668 0.76 ALOX5AP (0.32)
SCHEMBL12064989 0.73 DPP4 (0.31) GPR119
SCHEMBL470693 0.72 GPR119 (0.31) GPR119
SCHEMBL462389 0.71 MCHR1 (0.41) GPR119

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