SCHEMBL6238520

SCHEMBL6238520

CCC(C)C(N)C(=O)N1CCCC1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 1.00
DPP8 Q6V1X1 3/20 0.61
DPP9 Q86TI2 3/20 0.61
FAP Q12884 2/20 0.61
DPP7 Q9UHL4 2/20 0.61

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
SCHEMBL6238524 1.00 DPP4 (1.00) DPP4DPP8DPP9FAPDPP7
SCHEMBL5647937 1.00 DPP4 (1.00) DPP4DPP8DPP9FAPDPP7
SCHEMBL5647935 1.00 DPP4 (1.00) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL3601691 0.99 DPP4 (0.97) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL5652236 0.99 DPP4 (0.97) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL5049190 0.99 DPP4 (0.97) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL5652234 0.99 DPP4 (0.97) DPP4DPP8DPP9FAPDPP7
Trifluoroacetic Acid SCHEMBL5203128 0.92 DPP4 (0.84) DPP4DPP8
Trifluoroacetic Acid SCHEMBL5203132 0.92 DPP4 (0.84) DPP4DPP8
Trifluoroacetic Acid SCHEMBL5696185 0.92 DPP4 (0.84) DPP4DPP8

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-1658066-B9 ADAMANTYLGLYCINE- BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES BRISTOL MYERS SQUIBB CO (US) 2010-02-24 EP disclosed
EP-1658066-B1 ADAMANTYLGLYCINE- BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES BRISTOL MYERS SQUIBB CO (US) 2009-09-30 EP disclosed
EP-1997489-A1 Adamantylglycine derivatives as inhibitors of dipeptidyl peptidase IV for the treatment of diabetes BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-03 EP disclosed
EP-1171121-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIPEPTIDYLPEPTIDASE IV INHIBITORS FOR THE PROMOTION OF GROWTH FERRING BV (NL) 2005-06-15 EP disclosed
WO-2005012249-A2 ADAMANTYGLYCINE- BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-10 WO disclosed
WO-2003063903-A2 MODULATION OF T LYMPHOCYTES USING DP IV INHIBITORS PROBIODRUG AG (DE) 2003-08-07 WO disclosed
US-6201132-B1 INHIBITORS OF MEMBRANE-BOUND SERINE PROTEASE; AMINOACYL COMPOUNDS FERRING B.V. (NL) 2001-03-13 US disclosed
US-5939560-A AMINE COMPOUNDS AS ENZYME INHIBITORS FERRING B.V. (NL) 1999-08-17 US disclosed
WO-1995015309-A1 DP-IV-SERINE PROTEASE INHIBITORS FERRING B.V. (NL) 1995-06-08 WO disclosed