SCHEMBL2554645

SCHEMBL2554645

Cc1nc(Br)ccc1O[C@H]1CC[C@H](OC2CCN(C(C)C(F)(F)F)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.44
SLC5A7 Q9GZV3 1/20 0.34
SCD O00767 1/20 0.33
GPR6 P46095 3/20 0.33
FPR2 P25090 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
RBP4 P02753 1/20 0.32
TTR P02766 1/20 0.32
SCN1A P35498 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CYP2D6 P10635 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
SCHEMBL2557582 0.87 GPR119 (0.47) GPR119SLC5A7HRH3CYP2D6
SCHEMBL2550758 0.83 GPR119 (0.65) GPR119
SCHEMBL2575142 0.83 GPR119 (0.65) GPR119
SCHEMBL14634535 0.81 GPR119 (0.45) GPR119SCDFPR2PROKR1HRH3
SCHEMBL2556367 0.81 GPR119 (0.45) GPR119SCDFPR2PROKR1HRH3
SCHEMBL14634556 0.81 GPR119 (0.59) GPR119
SCHEMBL14634557 0.81 GPR119 (0.59) GPR119
SCHEMBL14634558 0.81 GPR119 (0.59) GPR119
SCHEMBL12282975 0.76 GPR119 (0.73) GPR119
SCHEMBL2553366 0.76 GPR119 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556056-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2013-02-13 EP disclosed
WO-2011127051-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed