SCHEMBL7213508

SCHEMBL7213508

C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N([N+]=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.49
SLC6A2 P23975 1/20 0.48
OPRM1 P35372 2/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
CMA1 P23946 1/20 0.47
ACE P12821 2/20 0.47
XIAP P98170 1/20 0.47

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
SCHEMBL7351756 0.92 TACR1 (0.52) TACR1SLC6A2OPRM1OPRD1OPRK1
SCHEMBL8664555 0.91 TACR1 (0.48) TACR1SLC6A2OPRM1OPRD1OPRK1
SCHEMBL9540221 0.88 TACR1 (0.48) TACR1CMA1ACE
SCHEMBL15231906 0.88 SLC6A2 (0.59) SLC6A2OPRM1OPRD1OPRK1CMA1
SCHEMBL15231898 0.88 SLC6A2 (0.59) SLC6A2OPRM1OPRD1OPRK1CMA1
SCHEMBL15231343 0.88 SLC6A2 (0.59) SLC6A2OPRM1OPRD1OPRK1CMA1
SCHEMBL10297414 0.83 ACE (0.51) OPRM1OPRD1OPRK1CMA1ACE
SCHEMBL14479876 0.83 ACE (0.51) OPRM1OPRD1OPRK1CMA1ACE
SCHEMBL4959360 0.83 ACE (0.51) OPRM1OPRD1OPRK1CMA1ACE
SCHEMBL5062693 0.81 TACR1 (0.43) TACR1SLC6A2OPRM1CMA1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303582-A2 STABILIZATION OF ENZYMES GENENCOR INTERNATIONAL, INC. (US) 2003-04-23 EP disclosed
WO-2002008398-A2 STABILIZATION OF ENZYMES GENENCOR INTERNATIONAL, INC. (US) 2002-01-31 WO disclosed