SCHEMBL470651

SCHEMBL470651

C[C@H](Oc1cnc(N2CC[C@@H](NCl)C2)nc1)C1CCN(c2nc(C(C)(C)O)no2)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 8/20 0.36
ACACB O00763 5/20 0.35
GPR119 Q8TDV5 6/20 0.32
GPR183 P32249 1/20 0.32
KCNH2 Q12809 2/20 0.32
EGFR P00533 1/20 0.31
KCNE1 P15382 1/20 0.31

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
SCHEMBL470918 0.82 GPR119 (0.33) ALOX5APGPR119KCNH2EGFRKCNE1
SCHEMBL470589 0.77 DPP4 (0.42) KCNH2
SCHEMBL470905 0.77 GPR119 (0.33) ALOX5APGPR119KCNH2EGFRKCNE1
SCHEMBL12064986 0.76 ALOX5AP (0.40) ALOX5APGPR119GPR183KCNH2
SCHEMBL470656 0.75 ALOX5AP (0.34) ALOX5APGPR119KCNH2EGFRKCNE1
SCHEMBL470680 0.75 ALOX5AP (0.39) ALOX5APGPR119GPR183KCNH2EGFR
SCHEMBL470869 0.74 GPR119 (0.44) ACACBGPR119GPR183KCNH2
SCHEMBL470690 0.74 ALOX5AP (0.32) ALOX5AP
SCHEMBL470686 0.73 GPR119 (0.40) ALOX5APGPR119GPR183KCNH2EGFR
SCHEMBL470549 0.72 ALOX5AP (0.30) ALOX5AP

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