SCHEMBL22384208

SCHEMBL22384208

Cc1cc(-c2ncc(Br)cn2)ccc1C[C@H](NC(=O)c1ccc(C(C)(C)C)s1)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.38
▸ AVPR2 P30518 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ STAT6 P42226 2/20 0.35
▸ STAT5A P42229 2/20 0.35
▸ STAT5B P51692 2/20 0.35
▸ PRCP P42785 1/20 0.34
▸ XIAP P98170 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ PRSS1 P07477 1/20 0.32

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
SCHEMBL19465512 0.89 ACE (0.46) ACEUSP30STAT6STAT5ASTAT5B
SCHEMBL17459612 0.89 ACE (0.46) ACEUSP30STAT6STAT5ASTAT5B
SCHEMBL17459609 0.89 ACE (0.46) ACEUSP30STAT6STAT5ASTAT5B
SCHEMBL17459610 0.89 ACE (0.46) ACEUSP30STAT6STAT5ASTAT5B
SCHEMBL17834393 0.84 ACE (0.46) ACEUSP30STAT6STAT5ASTAT5B
SCHEMBL17968865 0.81 ACE (0.46) ACESTAT6STAT5ASTAT5BPRCP
SCHEMBL17968867 0.81 ACE (0.46) ACESTAT6STAT5ASTAT5BPRCP
SCHEMBL17459564 0.81 ACE (0.46) ACESTAT6STAT5ASTAT5BPRCP
SCHEMBL19465507 0.81 ACE (0.46) ACESTAT6STAT5ASTAT5BPRCP
SCHEMBL16343394 0.78 ACE (0.46) ACEPRCPF2PRSS1

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-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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