SCHEMBL22384334

SCHEMBL22384334

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)C)cc4)C(=O)N4CCC(C(=O)O)C4)cc3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 10/20 0.46
▸ PPARG P37231 3/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ S1PR1 P21453 6/20 0.41
▸ S1PR3 Q99500 4/20 0.41
▸ HRH2 P25021 5/20 0.40
▸ HRH1 P35367 5/20 0.40
▸ HRH3 Q9Y5N1 1/20 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
SCHEMBL16380250 1.00 S1PR5 (0.46) S1PR5PPARGPPARAS1PR1S1PR3
SCHEMBL16305728 0.94 S1PR5 (0.47) S1PR5PPARGPPARAS1PR1S1PR3
SCHEMBL17834831 0.94 S1PR5 (0.49) S1PR5PPARGPPARAS1PR1S1PR3
SCHEMBL17834464 0.94 S1PR5 (0.45) S1PR5PPARGPPARAS1PR1S1PR3
SCHEMBL16306062 0.94 S1PR5 (0.48) S1PR5PPARGPPARAS1PR1S1PR3
SCHEMBL16305732 0.94 S1PR5 (0.48) S1PR5PPARGPPARAS1PR1S1PR3
SCHEMBL16305976 0.93 S1PR5 (0.46) S1PR5PPARGPPARAS1PR1S1PR3
SCHEMBL16305731 0.93 S1PR5 (0.47) S1PR5PPARGPPARAS1PR1S1PR3
SCHEMBL16306006 0.93 S1PR5 (0.47) S1PR5PPARGPPARAS1PR1S1PR3
SCHEMBL16380249 0.93 S1PR5 (0.47) S1PR5PPARGPPARAS1PR1S1PR3

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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