SCHEMBL8318935

SCHEMBL8318935

CC(C)[CH]NC(=O)C(N)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.45
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
DPP7 Q9UHL4 2/20 0.45
FAP Q12884 1/20 0.45
SLC7A5 Q01650 1/20 0.42
LAP3 P28838 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
SCHEMBL27804828 1.00 DPP4 (0.45) DPP4DPP8DPP9DPP7FAP
SCHEMBL5953881 0.79 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
SCHEMBL5953887 0.79 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
SCHEMBL3991048 0.75 CYP2D6 (0.34)
SCHEMBL8321404 0.71 GRIK1 (0.38) DPP4DPP8DPP9SLC7A5
SCHEMBL9651237 0.70
SCHEMBL6671727 0.70
SCHEMBL2512216 0.70
SCHEMBL271971 0.70
SCHEMBL892804 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3636263-B1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ALLERGAN INC (US) 2021-11-03 EP claimed
EP-3636263-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ALLERGAN, INC. (US) 2020-04-15 EP claimed
EP-3050564-B1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ALLERGAN INC (US) 2019-09-04 EP claimed
EP-3050564-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ALLERGAN, INC. (US) 2016-08-03 EP claimed
EP-3636263-B1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ALLERGAN INC (US) 2021-11-03 EP disclosed
EP-3050564-B1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ALLERGAN INC (US) 2019-09-04 EP disclosed
US-5994342-A 3-(substituted methyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one derivatives useful as antitumor agents TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0688324-A1 NOVEL 3-(SUBSTITUTED METHYL)-4-OXA-1-AZABICYCLO 3.2.0]HEPTAN-7-ONE DERIVATIVES USEFUL AS ANTITUMOR AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-12-27 EP disclosed
WO-1995018807-A1 NOVEL 3-(SUBSTITUTED METHYL)-4-OXA-1-AZABICYCLO[3.2.0]HEPTAN-7-ONE DERIVATIVES USEFUL AS ANTITUMOR AGENTS TAIHO PHARMACEUTICAL CO. LIMITED (JP) 1995-07-13 WO disclosed