SCHEMBL4964447

SCHEMBL4964447

CCC(C)C(N)C(=O)C1=NCCS1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.41
DPP8 Q6V1X1 10/20 0.41
DPP9 Q86TI2 9/20 0.41
DPP7 Q9UHL4 8/20 0.40

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
SCHEMBL4964448 1.00 DPP4 (0.41) DPP4DPP8DPP9DPP7
SCHEMBL295597 1.00 DPP4 (0.41) DPP4DPP8DPP9DPP7
SCHEMBL5161815 0.69 GRM8 (0.43) DPP4DPP8DPP9DPP7
SCHEMBL30369747 0.68 SMN1; SMN2 (0.36) DPP4DPP8DPP9DPP7
Isoleucine SCHEMBL8043620 0.61 SLC7A5 (0.55) DPP4DPP8DPP9DPP7
SCHEMBL215360 0.61
SCHEMBL9227569 0.61
SCHEMBL20629534 0.61
SCHEMBL21345145 0.61
SCHEMBL8313066 0.61

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