SCHEMBL4726416

SCHEMBL4726416

C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)CCl

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.55
OPRD1 P41143 2/20 0.55
OPRK1 P41145 2/20 0.55
SLC6A2 P23975 1/20 0.52
XIAP P98170 2/20 0.51

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
SCHEMBL4956347 0.92 OPRM1 (0.52) OPRM1OPRD1OPRK1SLC6A2XIAP
SCHEMBL11091524 0.88 SLC6A2 (0.63) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL31184433 0.88 SLC6A2 (0.63) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL3635117 0.87 OPRM1 (0.67) OPRM1OPRD1OPRK1XIAP
SCHEMBL4965647 0.85 PREP (0.57) XIAP
SCHEMBL14479875 0.84 OPRM1 (0.53) OPRM1OPRD1OPRK1SLC6A2XIAP
SCHEMBL10297418 0.84 OPRM1 (0.53) OPRM1OPRD1OPRK1SLC6A2XIAP
SCHEMBL10297462 0.84 OPRM1 (0.53) OPRM1OPRD1OPRK1SLC6A2XIAP
SCHEMBL4959360 0.82 ACE (0.51) OPRM1OPRD1OPRK1XIAP
SCHEMBL10297414 0.82 ACE (0.51) OPRM1OPRD1OPRK1XIAP

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
WO-2008020085-A2 USE OF CHLORO- AND FLUOROMETHYL KETONE DERIVATIVES IN ANTI-VIRAL THERAPY VIROLOGIK GMBH (DE) 2008-02-21 WO disclosed