SCHEMBL22384087

SCHEMBL22384087

COC(=O)C1CN(C(=O)C(N)Cc2ccc(-c3ncc(-c4ccc(OCCCC(C)C)cc4)cn3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 10/20 0.46
▸ HRH1 P35367 10/20 0.46
▸ RARB P10826 1/20 0.40
▸ S1PR1 P21453 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ AKT3 Q9Y243 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ DPP4 P27487 2/20 0.36
▸ LTA4H P09960 1/20 0.35

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
SCHEMBL17834712 1.00 HRH2 (0.46) HRH2HRH1RARBS1PR1S1PR5
Acetic Acid SCHEMBL17968875 0.98 HRH2 (0.47) HRH2HRH1RARBS1PR1S1PR5
Acetic Acid SCHEMBL17968877 0.98 HRH2 (0.47) HRH2HRH1RARBS1PR1S1PR5
SCHEMBL17834713 0.91 HRH2 (0.49) HRH2HRH1RARBS1PR1S1PR5
SCHEMBL16294794 0.91 HRH2 (0.46) HRH2HRH1RARBS1PR1S1PR5
SCHEMBL16294793 0.91 HRH2 (0.46) HRH2HRH1RARBS1PR1S1PR5
Hydrochloric Acid SCHEMBL17825544 0.90 HRH2 (0.49) HRH2HRH1RARBS1PR1S1PR5
Hydrochloric Acid SCHEMBL17968764 0.90 HRH2 (0.49) HRH2HRH1RARBS1PR1S1PR5
Acetic Acid SCHEMBL17968916 0.90 HRH2 (0.49) HRH2HRH1RARBS1PR1S1PR5
Acetic Acid SCHEMBL17968915 0.90 HRH2 (0.49) HRH2HRH1RARBS1PR1S1PR5

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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