SCHEMBL6430752

SCHEMBL6430752

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CXCR3 P49682 3/20 0.53
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
C3AR1 Q16581 1/20 0.48
SMYD3 Q9H7B4 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
MC4R P32245 2/20 0.40
POLB P06746 1/20 0.40
SHMT1 P34896 1/20 0.39
CXCR4 P61073 1/20 0.39

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
SCHEMBL6429000 0.92 MEN1 (0.53) MEN1KMT2ACXCR3OPRM1OPRD1
SCHEMBL6429015 0.84 OPRM1 (0.52) MEN1KMT2ACXCR3OPRM1OPRD1
SCHEMBL6431468 0.84 OPRM1 (0.54) MEN1KMT2ACXCR3OPRM1OPRD1
SCHEMBL6428974 0.84 OPRM1 (0.54) MEN1KMT2ACXCR3OPRM1OPRD1
SCHEMBL6431423 0.82 OPRM1 (0.54) MEN1KMT2ACXCR3OPRM1OPRD1
SCHEMBL6431416 0.82 OPRM1 (0.54) MEN1KMT2ACXCR3OPRM1OPRD1
SCHEMBL6431289 0.81 MEN1 (0.61) MEN1KMT2ACXCR3OPRM1OPRD1
SCHEMBL31037193 0.81 OPRM1 (0.57) MEN1KMT2ACXCR3OPRM1OPRD1
SCHEMBL6368127 0.81 OPRM1 (0.57) MEN1KMT2ACXCR3OPRM1OPRD1
SCHEMBL6367791 0.79 OPRM1 (0.56) MEN1KMT2ACXCR3OPRM1OPRD1

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