SCHEMBL6553737

SCHEMBL6553737

N=C(N)NCCC[C@H](N)C(=O)NC(=O)c1ccc(C(=N)N)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.45
ITGA2B P08514 4/20 0.45
TPSAB1 Q15661 1/20 0.42
NPY4R P50391 4/20 0.41
NPY1R P25929 3/20 0.41
NPY2R P49146 2/20 0.41
NPY5R Q15761 2/20 0.41
ST14 Q9Y5Y6 2/20 0.40
TERT O14746 4/20 0.39
F10 P00742 2/20 0.38
PRSS1 P07477 2/20 0.38

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
SCHEMBL25403520 0.90 POLB (0.43) NPY4RNPY1RNPY2RNPY5RF10
SCHEMBL3847129 0.90 POLB (0.43) NPY4RNPY1RNPY2RNPY5RF10
Hydrochloric Acid SCHEMBL11211338 0.89 HDAC3 (0.43) NPY4RNPY1RNPY2RNPY5RTERT
Hydrochloric Acid SCHEMBL11106339 0.89 HDAC3 (0.43) NPY4RNPY1RNPY2RNPY5RTERT
Hydrochloric Acid SCHEMBL9618470 0.88 POLB (0.42) NPY4RNPY1RNPY2RNPY5RF10
SCHEMBL8416482 0.83 HDAC1 (0.47) PRSS1
Bromide SCHEMBL11101365 0.82 HDAC1 (0.46) PRSS1
SCHEMBL1735090 0.79 PRSS1 (0.42) ITGB3ITGA2BTPSAB1ST14F10
Arginine SCHEMBL4606883 0.78 F10 (0.44) ITGB3ITGA2BTPSAB1F10PRSS1
Arginine SCHEMBL4606882 0.78 F10 (0.44) ITGB3ITGA2BTPSAB1F10PRSS1

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-1485345-A2 UROKINASE INHIBITORS, PRODUCTION AND USE THEREOF Curacyte AG (DE) 2004-12-15 EP disclosed
WO-2003076391-A2 UROKINASE INHIBITORS, PRODUCTION AND USE THEREOF CURACYTE AG (DE) 2003-09-18 WO disclosed