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SCHEMBL5315503

SCHEMBL5315503

CC(C)CC(NC(=O)C(N)CC(=O)O)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 15/20 0.59
▸ CALCR P30988 15/20 0.59
▸ NMUR2 Q9GZQ4 4/20 0.55
▸ NMUR1 Q9HB89 4/20 0.55
▸ CXCR4 P61073 1/20 0.52

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
SCHEMBL5315506 1.00 RAMP3 (0.59) RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL5578210 0.95 RAMP3 (0.59) RAMP3CALCRNMUR2NMUR1
SCHEMBL5578209 0.95 RAMP3 (0.59) RAMP3CALCRNMUR2NMUR1
SCHEMBL5311106 0.94 RAMP3 (0.57) RAMP3CALCRNMUR2NMUR1
SCHEMBL5311116 0.94 RAMP3 (0.57) RAMP3CALCRNMUR2NMUR1
SCHEMBL29801663 0.93 NMUR2 (0.56) RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL5318180 0.91 CXCR4 (0.51) RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL5318176 0.91 CXCR4 (0.51) RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL5313552 0.91 NMUR2 (0.50) RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL5313550 0.91 NMUR2 (0.50) RAMP3CALCRNMUR2NMUR1CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007056047-A2 ANTIBODIES, ASSAYS AND KITS TO QUANTITATE CARTILAGE DESTRUCTION ARTICULAR ENGINEERING, LLC. (US) 2007-05-18 — — WO claimed
US-20070099246-A1 Antibodies, assays and kits to quantitate cartilage destruction SANDY JOHN D 2007-05-03 — — US claimed
WO-2007056047-A2 ANTIBODIES, ASSAYS AND KITS TO QUANTITATE CARTILAGE DESTRUCTION ARTICULAR ENGINEERING, LLC. (US) 2007-05-18 — — WO disclosed
US-20070099246-A1 Antibodies, assays and kits to quantitate cartilage destruction SANDY JOHN D 2007-05-03 — — US disclosed