SCHEMBL22384212

SCHEMBL22384212

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.36
▸ HRH2 P25021 2/20 0.36
▸ HRH1 P35367 2/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CTSS P25774 2/20 0.35
▸ CTSK P43235 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ FPR2 P25090 2/20 0.34
▸ HPGDS O60760 3/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ ITGB7 P26010 1/20 0.34
▸ MCL1 Q07820 1/20 0.33

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) ACACBHRH2HRH1KMT2ACTSS
SCHEMBL22384298 0.85 ACACB (0.35) ACACBHRH2HRH1P2RX7KMT2A
SCHEMBL17532278 0.85 P2RX7 (0.52) HRH2HRH1P2RX7KMT2ACTSK
SCHEMBL16305977 0.85 ACACB (0.35) ACACBHRH2HRH1P2RX7KMT2A
SCHEMBL22167308 0.84 FPR2 (0.34) ACACBHRH2HRH1P2RX7KMT2A
SCHEMBL17468600 0.84 FPR2 (0.34) ACACBHRH2HRH1P2RX7KMT2A
SCHEMBL22384328 0.83 ACACB (0.34) ACACBHRH2HRH1P2RX7CTSS
SCHEMBL22756134 0.81 MAPT (0.41) KMT2ACTSSCTSKITGA4ITGB7
SCHEMBL17834369 0.79 ACACB (0.41) ACACBHRH2HRH1KMT2AMAPK1
SCHEMBL22167286 0.78 ACACB (0.33) ACACBP2RX7

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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