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SCHEMBL15501036

SCHEMBL15501036

CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(=O)Cn1ccnc1CN(CCCC[C@@H](N)C(=O)O)Cc1nccn1CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ARG1 P05089 1/20 0.39
▸ CASR P41180 1/20 0.33
▸ SLC1A5 Q15758 8/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ CXCR4 P61073 1/20 0.32
▸ FPR2 P25090 3/20 0.31

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
SCHEMBL1741957 1.00 ARG1 (0.39) ARG1CASRSLC1A5DPP8DPP9
SCHEMBL1741950 1.00 ARG1 (0.39) ARG1CASRSLC1A5DPP8DPP9
Bicarbonate SCHEMBL17685157 0.92 FPR2 (0.33) CASRCXCR4FPR2
SCHEMBL1741941 0.91 ARG1 (0.43) ARG1SLC1A5DPP8DPP9DPP7
SCHEMBL1741937 0.91 ARG1 (0.43) ARG1SLC1A5DPP8DPP9DPP7
SCHEMBL17685156 0.90 CASR (0.31) CASRFPR2
SCHEMBL2834770 0.85 TBXAS1 (0.31) CASRCXCR4FPR2
SCHEMBL18057196 0.85 ARG1 (0.39) ARG1CASRDPP8DPP9DPP7
SCHEMBL17690537 0.83 FPR2 (0.36) ARG1DPP8DPP9DPP7CXCR4
SCHEMBL2495508 0.82 CXCR4 (0.41) ARG1CASRSLC1A5DPP8DPP9

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
EP-2706057-B1 Bis(imidazolyl)compounds and radionuclide complexes MOLECULAR INSIGHT PHARM INC (US) 2016-04-20 — — EP disclosed
EP-2706057-A1 Bis(imidazolyl)compounds and radionuclide complexes Molecular Insight Pharmaceuticals, Inc. (US) 2014-03-12 — — EP disclosed