SCHEMBL4966643

SCHEMBL4966643

N#CC1CCCN1C(=O)CNCCNc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP7 Q9UHL4 4/20 0.71
DPP8 Q6V1X1 4/20 0.71

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
SCHEMBL1614514 1.00 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL6596978 0.88 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL464944 0.86 DPP4 (0.76) DPP4DPP7DPP8
SCHEMBL666219 0.85 DPP4 (0.74) DPP4DPP7DPP8
SCHEMBL4594039 0.85 DPP4 (0.74) DPP4DPP7DPP8
SCHEMBL666255 0.84 DPP4 (0.72) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL6697642 0.84 DPP4 (0.72) DPP4DPP7DPP8
SCHEMBL4594376 0.84 DPP4 (0.72) DPP4DPP7DPP8
SCHEMBL5077374 0.84 DPP4 (0.75) DPP4DPP7DPP8
SCHEMBL6702155 0.84 DPP4 (0.75) DPP4DPP7DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898904-A2 MODIFIED RELEASE 1-[(3-HYDROXY-ADAMANT-1-YLAMINO)-ACETYL]-PYRROLIDINE-2(S)-CARBONITRILE FORMULATION Novartis AG (CH) 2008-03-19 EP disclosed
WO-2006135723-A2 MODIFIED RELEASE 1-[(3-HYDROXY-ADAMANT-1-YLAMINO)-ACETYL]-PYRROLIDINE-2(S)-CARBONITRILE FORMULATION NOVARTIS AG (CH) 2006-12-21 WO disclosed