SCHEMBL6375414

SCHEMBL6375414

O=[C][C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
EPHX2 P34913 1/20 0.39
F2 P00734 1/20 0.39
PARP1 P09874 3/20 0.38
PREP P48147 3/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL28001858 0.89 PREP (0.50) PREP
SCHEMBL6161418 0.82 KMT2A (0.43) KMT2AFABP5FABP7EPHX2F2
SCHEMBL12644111 0.82 KMT2A (0.43) KMT2AFABP5FABP7EPHX2F2
SCHEMBL6161890 0.82 KMT2A (0.43) KMT2AFABP5FABP7EPHX2F2
SCHEMBL21961543 0.82 KMT2A (0.43) KMT2AFABP5FABP7EPHX2F2
SCHEMBL23157205 0.82 KMT2A (0.43) KMT2AFABP5FABP7EPHX2F2
SCHEMBL118354 0.81 ALDH1A1 (0.58) KMT2AFABP5FABP7F2PREP
SCHEMBL1002927 0.81 ALDH1A1 (0.58) KMT2AFABP5FABP7F2PREP
SCHEMBL14891093 0.81 L3MBTL1 (0.45) KMT2AFABP5FABP7EPHX2F2
SCHEMBL2043044 0.81 L3MBTL1 (0.45) KMT2AFABP5FABP7EPHX2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001764-A4 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2005-08-24 EP disclosed
US-6903075-B1 Heterocyclic amide compounds as cell adhesion inhibitors MERCK & CO., INC. (US) 2005-06-07 US disclosed
EP-1001764-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-05-24 EP disclosed
WO-1999064395-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-12-16 WO disclosed
WO-1998053814-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO disclosed
EP-0502926-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1992-09-16 EP disclosed
EP-0502926-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INTERNAT H (US) 1992-07-13 EP disclosed
WO-1991007976-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-06-13 WO disclosed