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SCHEMBL8664555

SCHEMBL8664555

CC(=O)N[C@@H](C)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 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 5/20 0.48
▸ CMA1 P23946 3/20 0.47
▸ ACE P12821 3/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ XIAP P98170 3/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ OPRM1 P35372 2/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45

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
SCHEMBL7213508 0.91 TACR1 (0.49) TACR1CMA1ACEXIAPSLC6A2
SCHEMBL9540221 0.88 TACR1 (0.48) TACR1CMA1ACE
SCHEMBL8662695 0.87 ELANE (0.45) CMA1XIAP
SCHEMBL7351756 0.87 TACR1 (0.52) TACR1SLC6A2OPRM1OPRD1OPRK1
SCHEMBL5062693 0.81 TACR1 (0.43) TACR1CMA1ACEXIAPSLC6A2
SCHEMBL8333459 0.80 PSMB9 (0.47) TACR1XIAPSLC6A2
SCHEMBL15231898 0.78 SLC6A2 (0.59) CMA1ACEXIAPSLC6A2OPRM1
SCHEMBL15231906 0.78 SLC6A2 (0.59) CMA1ACEXIAPSLC6A2OPRM1
SCHEMBL15231343 0.78 SLC6A2 (0.59) CMA1ACEXIAPSLC6A2OPRM1
SCHEMBL10766006 0.78 ACE (0.57) CMA1ACEACE2XIAPSLC6A2

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
US-5776780-A AUTOMATIC ANALYZING; COLORIMETRIC PHOTOMETRY CHIMERA RESEARCH & CHEMICAL, INC. (US) 1998-07-07 — — US claimed
US-5776780-A AUTOMATIC ANALYZING; COLORIMETRIC PHOTOMETRY CHIMERA RESEARCH & CHEMICAL, INC. (US) 1998-07-07 — — US disclosed