SCHEMBL288499

SCHEMBL288499

COc1c(Cl)ncnc1OC1CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.41
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41
PIK3CD O00329 10/20 0.39
PIK3CA P42336 5/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CG P48736 3/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL13357777 0.86 GPR119 (0.48) GPR119CYP2C9KCNH2PIK3CD
SCHEMBL3240385 0.85 PIK3CD (0.53) GPR119PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL288503 0.85 GPR119 (0.57) GPR119CYP2C9KCNH2
SCHEMBL288925 0.85 GPR119 (0.46) GPR119CYP2C9PIK3CD
SCHEMBL20375400 0.84 GPR119 (0.41) GPR119CYP2C9KCNH2PIK3CDPIK3CA
SCHEMBL13733200 0.83 GPR119 (0.44) GPR119CYP2C9
SCHEMBL3258302 0.83 GPR119 (0.47) GPR119CYP2C9KCNH2PIK3CD
SCHEMBL12281328 0.82 ACACB (0.36) GPR119CYP2C9KCNH2PIK3CDPIK3CA
SCHEMBL1449593 0.77 PAK1 (0.43)
SCHEMBL3252437 0.76 EGFR (0.36) KCNH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382204-B1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES MERCK SHARP & DOHME (US) 2018-07-11 EP disclosed
EP-2427450-A1 GPR 119 MODULATORS Pfizer Inc. (US) 2012-03-14 EP disclosed
EP-2427448-A1 Gpr 119 modulators Pfizer Inc. (US) 2012-03-14 EP disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
EP-1732562-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-12-20 EP disclosed
WO-2006083491-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed