SCHEMBL6429015

SCHEMBL6429015

NC(=O)CCC(NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMYD3 Q9H7B4 1/20 0.47
CXCR3 P49682 3/20 0.47
MC4R P32245 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6431423 0.91 OPRM1 (0.54) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL6431416 0.88 OPRM1 (0.54) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL6431289 0.85 MEN1 (0.61) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL6430752 0.84 MEN1 (0.55) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL31037193 0.84 OPRM1 (0.57) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL6368127 0.84 OPRM1 (0.57) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL6428974 0.84 OPRM1 (0.54) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL6431468 0.84 OPRM1 (0.54) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL6367791 0.83 OPRM1 (0.56) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL6429000 0.83 MEN1 (0.53) OPRM1OPRD1OPRK1KMT2AMEN1

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-1001764-A4 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2005-08-24 EP 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