SCHEMBL9974189

SCHEMBL9974189

CC(C)(C)OC(=O)N1CCC(C2Cc3cc(-c4ccc(N)cc4)ncc3O2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.48
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
ATR Q13535 1/20 0.42
AURKB Q96GD4 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL9974232 0.92 GPR119 (0.45) GPR119PTPN2PTPN1PTPN6
SCHEMBL9974192 0.90 GPR119 (0.49) GPR119PTPN2PTPN1PTPN6HTT
SCHEMBL9943189 0.90 GPR119 (0.60) GPR119
SCHEMBL9974230 0.89 GPR119 (0.52) GPR119
SCHEMBL9974229 0.88 GPR119 (0.49) GPR119PTPN2PTPN1PTPN6
SCHEMBL9936533 0.88 GPR119 (0.61) GPR119
SCHEMBL14575369 0.88 GPR119 (0.61) GPR119
SCHEMBL9974172 0.88 PTPN2 (0.50) GPR119PTPN2PTPN1PTPN6PIK3CA
SCHEMBL14244615 0.88 GPR119 (0.49) GPR119
SCHEMBL9974231 0.88 GPR119 (0.48) 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-2012080476-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed