Sugi Predict

Sugi Predict / Compounds / SCHEMBL9974229

SCHEMBL9974229

SCHEMBL9974229

CC(C)(C)OC(=O)N1CCC(C2Cc3cc(-c4ccc(N)c(F)c4)ncc3O2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 17/20 0.49
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ ALOX5AP P20292 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN6 P29350 1/20 0.40

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
SCHEMBL9974189 0.88 GPR119 (0.48) GPR119PTPN2PTPN1PTPN6
SCHEMBL9974191 0.88 GPR119 (0.64) GPR119
SCHEMBL9974232 0.88 GPR119 (0.45) GPR119ALOX5APFEN1PTPN2PTPN1
SCHEMBL14246431 0.87 GPR119 (0.64) GPR119
SCHEMBL17011387 0.87 GPR119 (0.48) GPR119PTPN2PTPN1PTPN6
SCHEMBL9974231 0.86 GPR119 (0.48) GPR119
SCHEMBL9974162 0.86 GPR119 (0.48) GPR119
SCHEMBL9974211 0.84 GPR119 (0.51) GPR119ALOX5APFEN1
SCHEMBL9974192 0.84 GPR119 (0.49) GPR119HDAC1PTPN2PTPN1PTPN6
SCHEMBL9943189 0.84 GPR119 (0.60) 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