SCHEMBL22384328

SCHEMBL22384328

CNC(Cc1ccc(-c2ncc(-c3ccc(O)cc3F)cn2)cc1)C(=O)N1CC(C(=O)OC(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.34
▸ FEN1 P39748 6/20 0.34
▸ ALOX5AP P20292 5/20 0.34
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ ACE P12821 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
SCHEMBL22384194 0.89 CTSS (0.36) ACACBCTSSCTSKMAPK1HRH2
SCHEMBL17834409 0.87 ACACB (0.33) ACACBFEN1ALOX5APHRH2HRH1
SCHEMBL22384132 0.87 ACACB (0.33) ACACBFEN1ALOX5APHRH2HRH1
SCHEMBL22384212 0.83 ACACB (0.36) ACACBCTSSCTSKMAPK1HRH2
SCHEMBL17834418 0.79 P2RX7 (0.43) CTSKMAPK1HRH2HRH1P2RX7
SCHEMBL22384231 0.79 P2RX7 (0.43) CTSKMAPK1HRH2HRH1P2RX7
SCHEMBL17834535 0.79 DPP4 (0.41) ACACBFEN1ALOX5APHRH2HRH1
SCHEMBL17968892 0.78 PYGL (0.35) FEN1ALOX5APDPP4HCAR2HPGDS
SCHEMBL17968893 0.78 PYGL (0.35) FEN1ALOX5APDPP4HCAR2HPGDS
SCHEMBL22384167 0.77 KIFC1 (0.33) ACACBFEN1ALOX5APHRH2HRH1

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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