SCHEMBL6431423

SCHEMBL6431423

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MC4R P32245 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47
NAALAD2 Q9Y3Q0 3/20 0.46
CXCR3 P49682 3/20 0.46
GAA P10253 1/20 0.45
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
POLB P06746 2/20 0.43
FOLH1 Q04609 1/20 0.42

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
SCHEMBL6429015 0.91 OPRM1 (0.52) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6431289 0.87 MEN1 (0.61) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL31037193 0.86 OPRM1 (0.57) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6368127 0.86 OPRM1 (0.57) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6428974 0.86 OPRM1 (0.54) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6431468 0.86 OPRM1 (0.54) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6367791 0.85 OPRM1 (0.56) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL9033213 0.85 OPRM1 (0.53) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL9033208 0.85 OPRM1 (0.53) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL9033227 0.85 OPRM1 (0.53) OPRM1OPRD1OPRK1MEN1KMT2A

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