SCHEMBL4959360

SCHEMBL4959360

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.51
ACE2 Q9BYF1 4/20 0.51
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 2/20 0.51
XIAP P98170 2/20 0.51
CMA1 P23946 1/20 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
SCHEMBL14479876 1.00 ACE (0.51) ACEACE2OPRM1OPRD1OPRK1
SCHEMBL10297414 1.00 ACE (0.51) ACEACE2OPRM1OPRD1OPRK1
SCHEMBL10297452 0.98 XIAP (0.52) ACEACE2OPRM1OPRD1OPRK1
SCHEMBL10297426 0.98 XIAP (0.52) ACEACE2OPRM1OPRD1OPRK1
SCHEMBL4956347 0.91 OPRM1 (0.52) OPRM1OPRD1OPRK1XIAPCMA1
SCHEMBL15231343 0.91 SLC6A2 (0.59) ACEOPRM1OPRD1OPRK1XIAP
SCHEMBL15231906 0.91 SLC6A2 (0.59) ACEOPRM1OPRD1OPRK1XIAP
SCHEMBL15231898 0.91 SLC6A2 (0.59) ACEOPRM1OPRD1OPRK1XIAP
SCHEMBL10297462 0.89 OPRM1 (0.53) ACEACE2OPRM1OPRD1OPRK1
SCHEMBL14479875 0.89 OPRM1 (0.53) ACEACE2OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402561-B2 Compositions and methods for inhibiting abnormal cell growth CLAWNOR, INC. (US) 2008-07-22 US disclosed
WO-2005087251-A1 COMPOSITIONS AND METHODS FOR INHIBITING ABNORMAL CELL GROWTH CLAWNOR, INC. (US) 2005-09-22 WO disclosed
US-20050209150-A1 Compositions and methods for inhibiting abnormal cell growth CLAWNOR, INC. 2005-09-22 US disclosed