SCHEMBL3820286

SCHEMBL3820286

CCCCOC(=O)N[C@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 4/20 0.52
CHRNA7 P36544 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP3A4 P08684 1/20 0.48
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
CTSK P43235 1/20 0.47
CMKLR2 P46091 1/20 0.47
CMKLR1 Q99788 1/20 0.47
FAAH O00519 1/20 0.47
ITGB3 P05106 6/20 0.46
ITGA2B P08514 6/20 0.46
FOLH1 Q04609 1/20 0.46

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
SCHEMBL5498526 1.00 GPR132 (0.52) GPR132CHRNA7L3MBTL1CYP3A4ITGB1
SCHEMBL2356597 0.89 CYP3A4 (0.51) GPR132L3MBTL1CYP3A4ITGB1ITGA4
SCHEMBL7758997 0.86 ITGB3 (0.58) ITGB1ITGA4CTSKFAAHITGB3
SCHEMBL844471 0.86 ITGB3 (0.58) ITGB1ITGA4CTSKFAAHITGB3
SCHEMBL2185240 0.86 ITGB3 (0.58) ITGB1ITGA4CTSKFAAHITGB3
SCHEMBL4966319 0.85 ITGB3 (0.52) GPR132ITGB1ITGA4ITGB3ITGA2B
SCHEMBL753981 0.84 GPR132 (0.56) GPR132CYP3A4ITGA4CMKLR2CMKLR1
SCHEMBL9557602 0.83 GPR132 (0.56) GPR132CHRNA7CYP3A4CMKLR2CMKLR1
SCHEMBL5634425 0.83 GPR132 (0.58) GPR132CYP3A4CTSKCMKLR2CMKLR1
SCHEMBL5634418 0.83 GPR132 (0.58) GPR132CYP3A4CTSKCMKLR2CMKLR1

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
EP-1625153-B1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2009-08-26 EP disclosed