SCHEMBL8837262

SCHEMBL8837262

CC(C)CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.61
BACE2 Q9Y5Z0 5/20 0.61
CTSD P07339 1/20 0.59
OPRD1 P41143 2/20 0.59
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
NPY4R P50391 1/20 0.56
FOLH1 Q04609 1/20 0.55
OPRM1 P35372 1/20 0.54

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
SCHEMBL8837270 1.00 BACE1 (0.61) BACE1BACE2CTSDOPRD1NPY1R
SCHEMBL30464728 0.95 NPY1R (0.60) BACE1BACE2CTSDOPRD1NPY1R
SCHEMBL9848664 0.93 OPRD1 (0.61) BACE1BACE2CTSDOPRD1
SCHEMBL9848690 0.92 OPRD1 (0.62) BACE1BACE2CTSDOPRD1
SCHEMBL31062503 0.92 OPRD1 (0.61) BACE1BACE2CTSDOPRD1
SCHEMBL8332105 0.92 FOLH1 (0.58) BACE1BACE2OPRD1NPY1RNPY2R
SCHEMBL8332107 0.92 FOLH1 (0.58) BACE1BACE2OPRD1NPY1RNPY2R
SCHEMBL31062497 0.91 OPRD1 (0.62) BACE1BACE2CTSDOPRD1
SCHEMBL73897 0.91 NPY4R (0.60) BACE1BACE2CTSDOPRD1NPY1R
SCHEMBL9848647 0.91 OPRD1 (0.56) BACE1BACE2CTSDOPRD1OPRM1

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
US-5628979-A OLIGOPEPTIDES ANTISOMA LIMITED (GB) 1997-05-13 US claimed
EP-0527056-B1 Novel reagent for tumour imaging and therapy ANTISOMA LTD (GB) 1996-10-09 EP claimed
WO-1993002708-A1 NOVEL REAGENT FOR TUMOUR IMAGING AND THERAPY ANTISOMA LIMITED (GB) 1993-02-18 WO claimed
EP-0527056-A1 Novel reagent for tumour imaging and therapy ANTISOMA LIMITED (GB) 1993-02-10 EP claimed