SCHEMBL17459564

SCHEMBL17459564

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(Br)cn3)cc2)C(=O)N2CCCC2C(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 13/20 0.46
▸ ACE2 Q9BYF1 7/20 0.46
▸ TSHR P16473 1/20 0.44
▸ PRCP P42785 1/20 0.44
▸ STAT6 P42226 1/20 0.41
▸ STAT5A P42229 1/20 0.41
▸ STAT5B P51692 1/20 0.41

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
SCHEMBL17968865 1.00 ACE (0.46) ACEACE2TSHRPRCPSTAT6
SCHEMBL17968867 1.00 ACE (0.46) ACEACE2TSHRPRCPSTAT6
SCHEMBL19465507 1.00 ACE (0.46) ACEACE2TSHRPRCPSTAT6
SCHEMBL17834576 0.93 ACE (0.49) ACEACE2TSHRPRCP
SCHEMBL15037081 0.92 ACE (0.46) ACEACE2TSHRPRCP
SCHEMBL15037086 0.92 ACE (0.46) ACEACE2TSHRPRCP
SCHEMBL17459612 0.91 ACE (0.46) ACEACE2TSHRPRCPSTAT6
SCHEMBL17459610 0.91 ACE (0.46) ACEACE2TSHRPRCPSTAT6
SCHEMBL19465512 0.91 ACE (0.46) ACEACE2TSHRPRCPSTAT6
SCHEMBL17459609 0.91 ACE (0.46) ACEACE2TSHRPRCPSTAT6

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-3172199-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2017-05-31 — — EP disclosed
WO-2016015014-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2016-01-28 — — WO disclosed
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