SCHEMBL22384134

SCHEMBL22384134

CCCCCCCOc1ccc(-c2cnc(-c3ccc(CC(NC)C(=O)N4CC(C(=O)OC)C4)cc3)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ S1PR5 Q9H228 10/20 0.41
▸ S1PR1 P21453 6/20 0.41
▸ S1PR3 Q99500 4/20 0.41
▸ RARB P10826 3/20 0.40
▸ ITGB1 P05556 3/20 0.40
▸ ITGA4 P13612 3/20 0.40
▸ ITGB3 P05106 2/20 0.40
▸ ITGA2B P08514 2/20 0.40

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
SCHEMBL16294794 0.89 HRH2 (0.46) HRH2HRH1S1PR5S1PR1S1PR3
SCHEMBL16294793 0.89 HRH2 (0.46) HRH2HRH1S1PR5S1PR1S1PR3
SCHEMBL20426686 0.88 S1PR5 (0.51) HRH2HRH1S1PR5S1PR1S1PR3
SCHEMBL20900665 0.88 S1PR5 (0.51) HRH2HRH1S1PR5S1PR1S1PR3
SCHEMBL20427358 0.88 S1PR5 (0.51) HRH2HRH1S1PR5S1PR1S1PR3
SCHEMBL16295823 0.86 ITGB3 (0.49) HRH2HRH1ITGB1ITGA4ITGB3
SCHEMBL16295824 0.86 ITGB3 (0.49) HRH2HRH1ITGB1ITGA4ITGB3
SCHEMBL20427117 0.86 S1PR5 (0.47) HRH2HRH1S1PR5S1PR1S1PR3
SCHEMBL16342890 0.85 HRH2 (0.38) HRH2HRH1S1PR5S1PR1S1PR3
SCHEMBL16342891 0.85 HRH2 (0.38) HRH2HRH1S1PR5S1PR1S1PR3

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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