SCHEMBL9011376

SCHEMBL9011376

C[C@H](NC(=O)[C@]1(C)NC(=O)CCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)CNC(=O)C=Cc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
STAT3 P40763 1/20 0.41
SLC6A2 P23975 1/20 0.41
OPRD1 P41143 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
SCHEMBL8205946 0.84 ACE (0.50) OPRM1SLC6A2
SCHEMBL7641458 0.80 XIAP (0.44) OPRM1OPRD1
SCHEMBL5062693 0.78 TACR1 (0.43) OPRM1SLC6A2
SCHEMBL366333 0.76 TACR1 (0.51)
SCHEMBL6885771 0.76 TACR1 (0.44) OPRM1
SCHEMBL7624015 0.73 CMA1 (0.42)
SCHEMBL615204 0.72 TDP1 (0.41) OPRM1OPRD1
SCHEMBL5063463 0.72 OPRM1 (0.45) OPRM1
SCHEMBL1800549 0.72 ACE (0.42)
SCHEMBL2029990 0.71 TACR1 (0.52) OPRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480779-A ADDING TO SAMPLE PREDETERMINED AMOUNT OF ISOMERASE ISOMERIZING PEPTIDE N-TERMINAL TO PROLINE, MEASURING ENZYME-CATALYZED ISOMERIZATION OF PROLINE-CONTAINING PEPTIDE SUBSTRATE, DETERMINING CYCLOSPORIN CONCENTRATION FROM CALIBRATION CURVE ARZNEIMITTELWERK DRESDEN GMBH (DE) 1996-01-02 US disclosed