SCHEMBL7335152

SCHEMBL7335152

N=C(N)N(C(=N)N)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
CYP1A2 P05177 1/20 0.48
SRR Q9GZT4 2/20 0.46
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
EPHX1 P07099 1/20 0.46
CPA3 P15088 3/20 0.43
CPA1 P15085 2/20 0.43
FOLH1 Q04609 1/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7335142 1.00 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1798536 0.85 SLC1A3 (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1798535 0.85 SLC1A3 (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1764172 0.83 ALPI (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9754294 0.82 CYP1A2 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7555186 0.80 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7555192 0.80 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28718550 0.80 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL17158366 0.79 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4795710 0.78 ALPI (0.57) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0508220-B1 Derivatives of amindinophenylalanine, procedure for their preparation, their utilisation and compositions comprising them BEHRINGWERKE AG (DE) 1995-07-26 EP 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
EP-0508220-A1 Derivatives of amindinophenylalanine, procedure for their preparation, their utilisation and compositions comprising them BEHRINGWERKE Aktiengesellschaft (DE) 1992-10-14 EP disclosed