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SCHEMBL4807584

SCHEMBL4807584

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)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.56
▸ OPRM1 P35372 6/20 0.55
▸ OPRK1 P41145 6/20 0.55
▸ CXCR4 P61073 1/20 0.54
▸ MC4R P32245 1/20 0.52
▸ C5AR1 P21730 1/20 0.51
▸ NTSR1 P30989 1/20 0.50

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
SCHEMBL4807604 1.00 APLNR (0.56) APLNROPRM1OPRK1CXCR4MC4R
SCHEMBL4804770 0.95 APLNR (0.55) APLNROPRM1OPRK1CXCR4
SCHEMBL4804787 0.95 APLNR (0.55) APLNROPRM1OPRK1CXCR4
SCHEMBL29638078 0.94 APLNR (0.57) APLNRMC4R
SCHEMBL4301705 0.92 MC4R (0.52) APLNROPRM1OPRK1CXCR4MC4R
SCHEMBL29608384 0.91 APLNR (0.56) APLNROPRM1OPRK1CXCR4MC4R
SCHEMBL29607109 0.91 APLNR (0.56) APLNROPRM1OPRK1CXCR4MC4R
SCHEMBL29607152 0.91 APLNR (0.55) APLNROPRM1OPRK1CXCR4MC4R
SCHEMBL29608111 0.91 APLNR (0.55) APLNROPRM1OPRK1CXCR4MC4R
SCHEMBL30537453 0.90 CXCR4 (0.57) APLNROPRM1OPRK1CXCR4C5AR1

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
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
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