SCHEMBL9614818

SCHEMBL9614818

CN(C[C]=O)C(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
DPP7 Q9UHL4 2/20 0.35
NPY4R P50391 8/20 0.34
NPY1R P25929 5/20 0.34
NPY2R P49146 4/20 0.34
NPY5R Q15761 4/20 0.34
DPP4 P27487 3/20 0.33
DPP9 Q86TI2 1/20 0.33
OTC P00480 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
ALOX15 P16050 1/20 0.31
DDAH1 O94760 1/20 0.31

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
SCHEMBL1521790 0.84 DPP7 (0.33) NOS3NOS1NOS2DPP7NPY4R
SCHEMBL9952947 0.82 NOS3 (0.41) NOS3NOS1NOS2DPP7NPY4R
SCHEMBL27382578 0.82 NOS3 (0.41) NOS3NOS1NOS2DPP7NPY4R
SCHEMBL27484222 0.82 NOS2 (0.43) NOS3NOS1NOS2DPP7NPY4R
SCHEMBL27484223 0.82 NOS2 (0.43) NOS3NOS1NOS2DPP7NPY4R
Hydrochloric Acid SCHEMBL8063762 0.81 NOS3 (0.41) NOS3NOS1NOS2DPP7NPY4R
SCHEMBL29245561 0.80 NOS1 (0.44) NOS3NOS1NOS2DPP7NPY4R
SCHEMBL13497186 0.80 NOS3 (0.38) NOS3NOS1NOS2DPP7NPY4R
SCHEMBL31369271 0.78 NOS2 (0.42) NOS3NOS1NOS2DPP7NPY4R
SCHEMBL19644274 0.77 NOS3 (0.38) NOS3NOS1NOS2DPP7NPY4R

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-0494248-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES 1992-08-26 EP disclosed
EP-0494248-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-15 EP disclosed
WO-1991004746-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-04-18 WO disclosed