SCHEMBL6431416

SCHEMBL6431416

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

nearest known ligand 0.54

Predicted protein targets (top 17)

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
SMYD3 Q9H7B4 1/20 0.49
CXCR3 P49682 3/20 0.46
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
MC4R P32245 3/20 0.42
POLB P06746 1/20 0.41
KCNH2 Q12809 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
SCHEMBL6429015 0.88 OPRM1 (0.52) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6368127 0.86 OPRM1 (0.57) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL31037193 0.86 OPRM1 (0.57) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6367791 0.85 OPRM1 (0.56) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6432366 0.84 OPRM1 (0.57) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL29409705 0.84 MEN1 (0.57) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6429012 0.84 MEN1 (0.57) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6431423 0.83 OPRM1 (0.54) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6430752 0.82 MEN1 (0.55) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6431289 0.82 MEN1 (0.61) 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