SCHEMBL6428974

SCHEMBL6428974

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.54
OPRD1 P41143 2/20 0.54
OPRK1 P41145 2/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
SMYD3 Q9H7B4 1/20 0.50
CXCR3 P49682 3/20 0.49
MME P08473 1/20 0.46
POLB P06746 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
KCNH2 Q12809 1/20 0.41
ACE P12821 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
SCHEMBL6431468 1.00 OPRM1 (0.54) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL6431423 0.86 OPRM1 (0.54) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL9033213 0.85 OPRM1 (0.53) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL5482120 0.85 OPRM1 (0.53) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL9033227 0.85 OPRM1 (0.53) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL9033208 0.85 OPRM1 (0.53) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL6431289 0.85 MEN1 (0.61) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL6430752 0.84 MEN1 (0.55) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL6432366 0.84 OPRM1 (0.57) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL31037193 0.84 OPRM1 (0.57) 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