SCHEMBL17468557

SCHEMBL17468557

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(Br)cn3)cc2)C(=O)N2CC(C(=O)ON)C2)s1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 3/20 0.34
▸ PRCP P42785 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ ITGB3 P05106 2/20 0.32
▸ ITGA2B P08514 2/20 0.32
▸ HPGDS O60760 1/20 0.31
▸ ACE2 Q9BYF1 1/20 0.31
▸ ITGA4 P13612 4/20 0.31
▸ ITGB7 P26010 4/20 0.31
▸ ITGB1 P05556 3/20 0.31
▸ ACKR3 P25106 1/20 0.31
▸ P2RY12 Q9H244 1/20 0.31
▸ YEATS4 O95619 1/20 0.31
▸ PYGL P06737 1/20 0.30
▸ HRH2 P25021 1/20 0.30
▸ HRH1 P35367 1/20 0.30

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
SCHEMBL17468537 0.94 FPR2 (0.34) FPR2PRCPACACBITGB3ITGA2B
SCHEMBL17492936 0.94 FPR2 (0.34) FPR2PRCPACACBITGB3ITGA2B
SCHEMBL16305977 0.93 ACACB (0.35) FPR2PRCPACACBHRH2HRH1
SCHEMBL22384298 0.93 ACACB (0.35) FPR2PRCPACACBHRH2HRH1
SCHEMBL16295882 0.91 PYGL (0.38) FPR2PRCPACACBITGB3ITGA2B
SCHEMBL16343488 0.91 PYGL (0.38) FPR2PRCPACACBITGB3ITGA2B
SCHEMBL28532160 0.88 F10 (0.39) FPR2PRCPACACBITGB3ITGA2B
SCHEMBL28532158 0.88 F10 (0.39) FPR2PRCPACACBITGB3ITGA2B
SCHEMBL17945643 0.88 F10 (0.39) FPR2PRCPACACBITGB3ITGA2B
SCHEMBL16306070 0.88 F10 (0.39) FPR2PRCPACACBITGB3ITGA2B

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
WO-2016015014-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2016-01-28 — — WO disclosed
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