SCHEMBL4804770

SCHEMBL4804770

CC(C)CC(NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(Cc1c[nH]cn1)NC(=O)CN)C(=O)NC(CC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.55
▸ NMUR2 Q9GZQ4 4/20 0.52
▸ NMUR1 Q9HB89 4/20 0.52
▸ OPRM1 P35372 6/20 0.51
▸ OPRK1 P41145 6/20 0.51
▸ CTSL P07711 3/20 0.50
▸ CTSS P25774 3/20 0.50
▸ CTSK P43235 3/20 0.50
▸ CTSH P09668 1/20 0.50
▸ CXCR4 P61073 1/20 0.49
▸ F2 P00734 1/20 0.49
▸ EPHA2 P29317 2/20 0.48

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
SCHEMBL4804787 1.00 APLNR (0.55) APLNRNMUR2NMUR1OPRM1OPRK1
SCHEMBL4807604 0.95 APLNR (0.56) APLNROPRM1OPRK1CXCR4
SCHEMBL4807584 0.95 APLNR (0.56) APLNROPRM1OPRK1CXCR4
SCHEMBL31510401 0.90 APLNR (0.53) APLNRNMUR2NMUR1OPRM1OPRK1
SCHEMBL4301705 0.90 MC4R (0.52) APLNROPRM1OPRK1CTSLCTSS
SCHEMBL30884601 0.90 APLNR (0.58) APLNRNMUR2NMUR1F2
SCHEMBL29638078 0.89 APLNR (0.57) APLNRF2
SCHEMBL29607754 0.89 APLNR (0.56) APLNRNMUR2NMUR1OPRM1OPRK1
SCHEMBL29606819 0.89 APLNR (0.57) APLNRNMUR2NMUR1OPRM1OPRK1
SCHEMBL29607035 0.89 APLNR (0.55) APLNRNMUR2NMUR1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7445903-B2 Fibrin citrulline derivatives and their use for diagnosing or treating rheumatoid arthritis BIOMERIEUX SA (FR) 2008-11-04 — — US disclosed
US-20070009507-A1 Fibrin citrulline derivatives and their use for diagnosing or treating rheumatoid arthritis UNIVERSITE PAUL SABATIER-TOULOUSE III (FR) 2007-01-11 — — US disclosed
US-7022485-B1 Fibrin citrulline derivatives and their use for diagnosing or treating rheumatoid arthritis UNIVERSITE PAUL SABATIER (FR) 2006-04-04 — — US disclosed
EP-1619205-A1 Fibrin citrulline derivatives and their use for diagnosing or treating rheumatoid arthritis Biomerieux (FR) 2006-01-25 — — EP disclosed
EP-1196450-B1 FIBRIN CITRULLINE DERIVATIVES AND THEIR USE FOR DIAGNOSING OR TREATING RHEUMATOID ARTHRITIS BIOMERIEUX SA (FR) 2005-11-16 — — EP disclosed
EP-1196450-A1 FIBRIN CITRULLINE DERIVATIVES AND THEIR USE FOR DIAGNOSING OR TREATING RHEUMATOID ARTHRITIS UNIVERSITE PAUL SABATIER (TOULOUSE III) Etablissement public a caractère scientifique, culturel et professionnel (FR) 2002-04-17 — — EP disclosed
WO-2001002437-A1 FIBRIN CITRULLINE DERIVATIVES AND THEIR USE FOR DIAGNOSING OR TREATING RHEUMATOID ARTHRITIS UNIVERSITE PAUL SABATIER - TOULOUSE III (FR) 2001-01-11 — — WO disclosed
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