SCHEMBL4956347

SCHEMBL4956347

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
OPRD1 P41143 2/20 0.52
OPRK1 P41145 2/20 0.52
XIAP P98170 5/20 0.52
CMA1 P23946 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL4726416 0.92 OPRM1 (0.55) OPRM1OPRD1OPRK1XIAPSLC6A2
SCHEMBL4959360 0.91 ACE (0.51) OPRM1OPRD1OPRK1XIAPCMA1
SCHEMBL14479876 0.91 ACE (0.51) OPRM1OPRD1OPRK1XIAPCMA1
SCHEMBL10297414 0.91 ACE (0.51) OPRM1OPRD1OPRK1XIAPCMA1
SCHEMBL10297452 0.90 XIAP (0.52) OPRM1OPRD1OPRK1XIAPCMA1
SCHEMBL10297426 0.90 XIAP (0.52) OPRM1OPRD1OPRK1XIAPCMA1
SCHEMBL15231343 0.89 SLC6A2 (0.59) OPRM1OPRD1OPRK1XIAPCMA1
SCHEMBL15231906 0.89 SLC6A2 (0.59) OPRM1OPRD1OPRK1XIAPCMA1
SCHEMBL15231898 0.89 SLC6A2 (0.59) OPRM1OPRD1OPRK1XIAPCMA1
SCHEMBL4965647 0.86 PREP (0.57) XIAPCMA1

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