SCHEMBL7128886

SCHEMBL7128886

C[C@@H]1CCC[C@H](C)C1COC(=O)N1CCN(C(Cc2ccc(C#N)cc2)c2cnc[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.36
FNTB P49356 13/20 0.36
PGGT1B P53609 13/20 0.36
GPR119 Q8TDV5 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
HTR1A P08908 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 1/20 0.34
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PRKAA2 P54646 1/20 0.33

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
SCHEMBL7593498 1.00 FNTA (0.36) FNTAFNTBPGGT1BGPR119HRH3
SCHEMBL7118951 1.00 FNTA (0.36) FNTAFNTBPGGT1BGPR119HRH3
SCHEMBL7127275 1.00 FNTA (0.36) FNTAFNTBPGGT1BGPR119HRH3
SCHEMBL7593432 1.00 FNTA (0.36) FNTAFNTBPGGT1BGPR119HRH3
SCHEMBL7124953 0.84 HRH3 (0.38) GPR119HRH3DPP4FAPDPP8
SCHEMBL7593385 0.84 FNTA (0.38) FNTAFNTBPGGT1BGPR119HRH3
SCHEMBL7592792 0.83 HRH1 (0.41) FNTAFNTBPGGT1BGPR119HRH3
SCHEMBL3500628 0.82 FNTA (0.54) FNTAFNTBPGGT1BHTR1ADRD4
SCHEMBL7194324 0.81 FNTA (0.57) FNTAFNTBPGGT1BHTR1ADRD4
SCHEMBL7587362 0.81 GPR119 (0.38) FNTAFNTBPGGT1BGPR119HRH3

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
JP-2003524618-A 2003-08-19 JP claimed
EP-1158982-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP claimed
EP-1158982-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-12-05 EP claimed
WO-2000052134-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO claimed
EP-1158982-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
EP-1158982-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-12-05 EP disclosed
WO-2000052134-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed