SCHEMBL19465512

SCHEMBL19465512

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C(Cc1ccc(-c2ncc(Br)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)s1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.46
▸ PRCP P42785 1/20 0.42
▸ STAT6 P42226 3/20 0.40
▸ STAT5A P42229 3/20 0.40
▸ STAT5B P51692 3/20 0.40
▸ F2 P00734 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ ACE2 Q9BYF1 4/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ KLK5 Q9Y337 1/20 0.37
▸ XIAP P98170 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL17459609 1.00 ACE (0.46) ACEPRCPSTAT6STAT5ASTAT5B
SCHEMBL17459610 1.00 ACE (0.46) ACEPRCPSTAT6STAT5ASTAT5B
SCHEMBL17459612 1.00 ACE (0.46) ACEPRCPSTAT6STAT5ASTAT5B
SCHEMBL17834393 0.93 ACE (0.46) ACEPRCPSTAT6STAT5ASTAT5B
SCHEMBL17968865 0.91 ACE (0.46) ACEPRCPSTAT6STAT5ASTAT5B
SCHEMBL19465507 0.91 ACE (0.46) ACEPRCPSTAT6STAT5ASTAT5B
SCHEMBL17459564 0.91 ACE (0.46) ACEPRCPSTAT6STAT5ASTAT5B
SCHEMBL17968867 0.91 ACE (0.46) ACEPRCPSTAT6STAT5ASTAT5B
SCHEMBL22384208 0.89 ACE (0.38) ACEPRCPSTAT6STAT5ASTAT5B
SCHEMBL16343394 0.88 ACE (0.46) ACEPRCPF2PRSS1ACE2

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-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
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