SCHEMBL22384298

SCHEMBL22384298

CC(C)(C)OC(=O)C1CN(C(=O)C(Cc2ccc(-c3ncc(Br)cn3)cc2)NC(=O)c2ccc(C(C)(C)C)s2)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ HRH2 P25021 3/20 0.34
▸ HRH1 P35367 3/20 0.34
▸ FPR2 P25090 2/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ PRCP P42785 1/20 0.33
▸ ADORA1 P30542 1/20 0.32
▸ PTPRB P23467 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 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
SCHEMBL16305977 1.00 ACACB (0.35) ACACBKMT2AHRH2HRH1FPR2
SCHEMBL17834369 0.94 ACACB (0.41) ACACBKMT2AHRH2HRH1FPR2
SCHEMBL17492936 0.94 FPR2 (0.34) ACACBFPR2PRCP
SCHEMBL17468537 0.94 FPR2 (0.34) ACACBFPR2PRCP
SCHEMBL17468557 0.93 FPR2 (0.34) ACACBHRH2HRH1FPR2PRCP
SCHEMBL16305910 0.92 ITGB3 (0.36) ACACBKMT2AHRH2HRH1ACE
SCHEMBL22756197 0.92 ITGB3 (0.36) ACACBKMT2AHRH2HRH1ACE
SCHEMBL22167308 0.91 FPR2 (0.34) ACACBKMT2AHRH2HRH1FPR2
SCHEMBL17468600 0.91 FPR2 (0.34) ACACBKMT2AHRH2HRH1FPR2
SCHEMBL16295882 0.90 PYGL (0.38) ACACBFPR2PRCP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074820-B GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-05-18 — — CN disclosed
CN-112457301-A Novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-03-09 — — CN disclosed
EP-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 — — EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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