SCHEMBL7449736

SCHEMBL7449736

N=C(N)c1ccc(C[C@H](N)C(=O)N2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.51
TMPRSS15 P98073 1/20 0.51
DPP4 P27487 2/20 0.48
DPP7 Q9UHL4 7/20 0.46
HDAC8 Q9BY41 4/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
F2 P00734 2/20 0.45
DPP8 Q6V1X1 1/20 0.44

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
SCHEMBL7308928 1.00 PRSS1 (0.51) PRSS1TMPRSS15DPP4DPP7HDAC8
SCHEMBL7450368 1.00 PRSS1 (0.51) PRSS1TMPRSS15DPP4DPP7HDAC8
Hydrochloric Acid SCHEMBL4970030 0.99 PRSS1 (0.50) PRSS1TMPRSS15DPP4DPP7HDAC8
Hydrochloric Acid SCHEMBL7307256 0.99 PRSS1 (0.50) PRSS1TMPRSS15DPP4DPP7HDAC8
SCHEMBL23211353 0.81 DPP7 (0.56) DPP4DPP7HDAC8DPP8
SCHEMBL18492863 0.81 DPP4 (0.62) DPP4DPP7HDAC8DPP8
SCHEMBL23211354 0.81 DPP7 (0.56) DPP4DPP7HDAC8DPP8
SCHEMBL1039399 0.81 HDAC8 (0.68) DPP4DPP7HDAC8DPP8
SCHEMBL8077871 0.81 HDAC8 (0.68) DPP4DPP7HDAC8DPP8
SCHEMBL14390395 0.81 HDAC8 (0.67) DPP4DPP7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725797-B1 BIVALENT THROMBIN INHIBITORS CA NAT RESEARCH COUNCIL (CA) 2001-01-10 EP disclosed
EP-0725797-A1 BIVALENT THROMBIN INHIBITORS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1996-08-14 EP disclosed
EP-0513543-B1 Derivatives of amidinophenylalanine, procedure for their preparation, their utilisation and anticoagulant compositions comprising them. BEHRINGWERKE AG (DE) 1995-10-25 EP disclosed
WO-1995011921-A1 BIVALENT THROMBIN INHIBITORS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1995-05-04 WO disclosed
EP-0513543-A1 Derivatives of amidinophenylalanine, procedure for their preparation, their utilisation and anticoagulant compositions comprising them. BEHRINGWERKE Aktiengesellschaft (DE) 1992-11-19 EP disclosed