SCHEMBL6904576

SCHEMBL6904576

COC(=O)[C@H](Cc1ccccc1)N(C(=O)OCc1ccccc1)C(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.47
LTA4H P09960 3/20 0.43
SLC15A1 P46059 1/20 0.42
CTRB1 P17538 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
ANPEP P15144 2/20 0.39
EPOR P19235 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A1 P43005 1/20 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
SCHEMBL9330125 1.00 ABCB1 (0.47) ABCB1LTA4HSLC15A1CTRB1TRPM8
SCHEMBL11280290 0.84 SLC15A1 (0.43) LTA4HSLC15A1ALDH1A1SLC1A3SLC1A1
SCHEMBL10901317 0.84 SLC15A1 (0.43) LTA4HSLC15A1ALDH1A1SLC1A3SLC1A1
SCHEMBL10782585 0.84 ANPEP (0.42) LTA4HALDH1A1ANPEPEPOR
SCHEMBL11124075 0.82 EPOR (0.40) LTA4HALDH1A1ANPEPEPOR
SCHEMBL8814348 0.82 ANPEP (0.43) ABCB1LTA4HSLC15A1ALDH1A1ANPEP
SCHEMBL9301690 0.81 ABCB1 (0.49) ABCB1CTRB1TRPM8ALDH1A1ALOX15
SCHEMBL10536654 0.81 ABCB1 (0.42) ABCB1LTA4HALDH1A1
SCHEMBL9331692 0.81 ANPEP (0.42) LTA4HSLC15A1CTRB1ANPEPEPOR
SCHEMBL5178314 0.81 CTSB (0.39) ABCB1LTA4HSLC15A1CTRB1TRPM8

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-1439818-A1 CHEWABLE TABLET CONTAINING LYSINE Boehringer Ingelheim International GmbH (DE) 2004-07-28 EP disclosed
WO-2003035027-A1 CHEWABLE TABLET CONTAINING LYSINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-05-01 WO disclosed