SCHEMBL5581709

SCHEMBL5581709

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.52
OPRM1 P35372 9/20 0.50
OPRK1 P41145 9/20 0.50
CTSL P07711 3/20 0.48
CTSS P25774 3/20 0.48
CTSK P43235 3/20 0.48
CTSH P09668 1/20 0.48
APLNR P35414 2/20 0.48
CXCR4 P61073 3/20 0.48
RAMP3 O60896 1/20 0.44
CALCR P30988 1/20 0.44

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
SCHEMBL7531984 1.00 MC4R (0.52) MC4ROPRM1OPRK1CTSLCTSS
SCHEMBL29607159 0.95 MC4R (0.51) MC4ROPRM1OPRK1CTSLCTSS
SCHEMBL30518977 0.90 APLNR (0.52) MC4ROPRM1OPRK1CTSLCTSS
SCHEMBL30454991 0.90 APLNR (0.57) MC4ROPRM1OPRK1CTSLCTSS
SCHEMBL31510391 0.90 MC4R (0.51) MC4ROPRM1OPRK1CTSLCTSS
SCHEMBL31384591 0.89 MC4R (0.56) MC4ROPRM1OPRK1APLNR
SCHEMBL31384590 0.88 MC4R (0.54) MC4ROPRM1OPRK1APLNR
SCHEMBL29607754 0.88 APLNR (0.56) MC4ROPRM1OPRK1CTSLCTSS
SCHEMBL30776248 0.88 MC4R (0.45) MC4ROPRM1OPRK1CTSLCTSS
SCHEMBL29607228 0.88 MC4R (0.55) MC4ROPRM1OPRK1APLNRCXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1024822-B1 CD8 AS AN INHIBITOR OF THE CELLULAR IMMUNE SYSTEM AVIDEX LTD (GB) 2002-04-10 EP claimed
CN-1283120-A CD8 as inhibitor of cellular immune system AVIDEKS CO LTD (GB) 2001-02-07 CN claimed
US-20070191278-A1 CD8 AS AN INHIBITOR OF THE CELLULAR IMMUNE SYSTEM AVIDEX LIMITED (GB) 2007-08-16 US disclosed
CN-1256147-C CD8 as inhibitor of cellular immune system AVIDEKS CO LTD (GB) 2006-05-17 CN disclosed
CN-1283120-A CD8 as inhibitor of cellular immune system AVIDEKS CO LTD (GB) 2001-02-07 CN disclosed