SCHEMBL8548222

SCHEMBL8548222

CC[C@H](C)[C@H](N)C(=O)NC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.41
DPP8 Q6V1X1 7/20 0.41
DPP9 Q86TI2 7/20 0.41
MME P08473 2/20 0.38
ACE P12821 2/20 0.38
CPA1 P15085 2/20 0.38
ACE2 Q9BYF1 2/20 0.38
TERT O14746 1/20 0.38
DPP7 Q9UHL4 6/20 0.37
CIT O14578 1/20 0.36

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
SCHEMBL8548225 1.00 DPP4 (0.41) DPP4DPP8DPP9MMEACE
SCHEMBL12234222 1.00 DPP4 (0.41) DPP4DPP8DPP9MMEACE
SCHEMBL22369892 1.00 DPP4 (0.41) DPP4DPP8DPP9MMEACE
SCHEMBL27510062 0.85 PIK3CD (0.43) DPP4DPP8DPP9TERTDPP7
SCHEMBL3149344 0.85 PIK3CD (0.43) DPP4DPP8DPP9TERTDPP7
SCHEMBL29858297 0.83 KDM4C (0.41) DPP4DPP8DPP9MMEACE
SCHEMBL22369849 0.82 POLB (0.34) DPP4
SCHEMBL3258317 0.80 POLB (0.39) DPP4DPP8DPP9DPP7
SCHEMBL24543397 0.79 POLB (0.40) DPP4DPP8DPP9DPP7
SCHEMBL24543161 0.79 POLB (0.40) DPP4DPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670675-B1 AN AQUEOUS ALKALINE METAL WORKING FLUID CONTAINING A PRIMARY AMINE BEROL NOBEL AB (SE) 1999-03-24 EP disclosed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
US-5633222-A SUCH AS METAL WORKING FLUIDS BEROL NOBEL AB (SE) 1997-05-27 US disclosed
EP-0674696-A1 USE OF A SECONDARY AMINE AS A CORROSION INHIBITING AND ANTIMICROBIAL AGENT AND AN AQUEOUS ALKALINE INDUSTRIAL FLUID CONTAINING SAID AMINE BEROL NOBEL AB (SE) 1995-10-04 EP disclosed
WO-1994013765-A1 USE OF A SECONDARY AMINE AS A CORROSION INHIBITING AND ANTIMICROBIAL AGENT AND AN AQUEOUS ALKALINE INDUSTRIAL FLUID CONTAINING SAID AMINE BEROL NOBEL AB (SE) 1994-06-23 WO disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed
EP-0386611-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-12 EP disclosed