SCHEMBL5580530

SCHEMBL5580530

CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 3/20 0.52
▸ GHSR Q92847 4/20 0.51
▸ F2 P00734 4/20 0.50
▸ CALCR P30988 4/20 0.50
▸ TLR2 O60603 1/20 0.49
▸ C5AR1 P21730 1/20 0.49

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
SCHEMBL29351263 0.92 CXCR4 (0.52) APLNRTLR2
SCHEMBL10277277 0.91 APLNR (0.52) APLNRGHSRF2CALCRC5AR1
SCHEMBL15928124 0.86 CXCR4 (0.50) APLNRTLR2
SCHEMBL29473717 0.85 CALCR (0.57) APLNRF2CALCRC5AR1
SCHEMBL29473692 0.80 OPRM1 (0.54) APLNRF2C5AR1
SCHEMBL30617831 0.79 F2 (0.58) APLNRF2CALCRC5AR1
SCHEMBL30974276 0.78 F2 (0.61) APLNRF2CALCRC5AR1
SCHEMBL16684358 0.78 F2 (0.65) APLNRF2CALCR
SCHEMBL15935518 0.78 CXCR4 (0.53) —
SCHEMBL29842938 0.76 CALCR (0.58) APLNRF2CALCRC5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070071717-A1 Treatment of B cells with IL-21 and B cell activators induces Granzyme B production UNIVERSITY OF IOWA RESEARCH FOUNDATION 2007-03-29 — — US disclosed
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