SCHEMBL5346245

SCHEMBL5346245

CC(C)CC(NC(=O)C(CC(=O)O)NC(=O)C(N)CS)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CO)C(=O)O)C(C)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.51
▸ CALCR P30988 10/20 0.51
▸ HCRTR1 O43613 1/20 0.50
▸ HCRTR2 O43614 1/20 0.50
▸ APLNR P35414 1/20 0.48
▸ RAMP3 O60896 6/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ CXCR4 P61073 1/20 0.45
▸ CRHR1 P34998 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45

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
SCHEMBL5346255 1.00 F2 (0.51) F2CALCRHCRTR1HCRTR2APLNR
SCHEMBL30658556 0.88 F2 (0.50) F2CALCRAPLNR
SCHEMBL31573968 0.88 C5AR1 (0.50) F2CALCRHCRTR1HCRTR2RAMP3
SCHEMBL29662390 0.88 CALCR (0.54) CALCRHCRTR1HCRTR2RAMP3CXCR4
SCHEMBL29384601 0.85 SLC6A2 (0.52) F2CALCRAPLNRRAMP3
SCHEMBL29641693 0.85 SLC6A2 (0.48) F2CALCRAPLNRRAMP3
SCHEMBL30906480 0.85 CALCR (0.57) F2CALCRHCRTR1HCRTR2APLNR
SCHEMBL31573972 0.84 C5AR1 (0.48) F2CALCRHCRTR1HCRTR2CXCR4
SCHEMBL29674857 0.84 F2 (0.52) F2CALCRAPLNRKEAP1CRHR1
SCHEMBL31452900 0.84 CALCRL (0.54) F2CALCRHCRTR1HCRTR2APLNR

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
US-7198919-B1 Use of alpha factor sequences in yeast expression systems GENENTECH, INC. (US) 2007-04-03 — — US disclosed
EP-0123544-A2 Process for expressing heterologous protein in yeast, expression vehicles and yeast organisms therefor GENENTECH, INC. (US) 1984-10-31 — — EP disclosed
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