SCHEMBL6975900

SCHEMBL6975900

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
BHMT Q93088 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ECE1 P42892 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34

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
Trifluoroacetic Acid SCHEMBL7943646 0.90 DPP8 (0.36) DPP4DPP8DPP9S1PR1S1PR3
SCHEMBL10452563 0.88 ENPEP (0.36) DPP4DPP8DPP9ECE1MME
SCHEMBL10801006 0.83 DPP4 (0.44) DPP4DPP8DPP9BHMTS1PR1
SCHEMBL24270547 0.83 DPP4 (0.44) DPP4DPP8DPP9BHMTS1PR1
SCHEMBL11119406 0.82 DPP4 (0.43) DPP4DPP8DPP9BHMTS1PR1
SCHEMBL30494619 0.81 SMN1; SMN2 (0.41) DPP4DPP8DPP9BHMTSLC1A3
SCHEMBL30494781 0.81 SMN1; SMN2 (0.41) DPP4DPP8DPP9BHMTSLC1A3
SCHEMBL3785072 0.81 SMN1; SMN2 (0.41) DPP4DPP8DPP9BHMTSLC1A3
SCHEMBL3785069 0.81 SMN1; SMN2 (0.41) DPP4DPP8DPP9BHMTSLC1A3
SCHEMBL3341838 0.80 LTA4H (0.49) DPP4DPP8DPP9BHMTECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed
EP-1098878-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2001-05-16 EP disclosed
WO-2000003986-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed