SCHEMBL22367918

SCHEMBL22367918

CCCCCCCOc1ccc(-c2cnc(-c3ccc(CC(N)C(=O)N4CC[C@H](C(=O)O)C4)cc3)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 11/20 0.53
▸ HRH2 P25021 6/20 0.50
▸ HRH1 P35367 6/20 0.50
▸ S1PR1 P21453 6/20 0.47
▸ S1PR3 Q99500 4/20 0.47
▸ DPP4 P27487 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL16343181 1.00 S1PR5 (0.53) S1PR5HRH2HRH1S1PR1S1PR3
SCHEMBL16294380 1.00 S1PR5 (0.53) S1PR5HRH2HRH1S1PR1S1PR3
SCHEMBL16306055 0.93 S1PR5 (0.52) S1PR5HRH2HRH1S1PR1S1PR3
SCHEMBL17968906 0.93 S1PR5 (0.52) S1PR5HRH2HRH1S1PR1S1PR3
SCHEMBL16375230 0.92 HRH2 (0.47) S1PR5HRH2HRH1S1PR1S1PR3
SCHEMBL16305723 0.91 S1PR5 (0.49) S1PR5HRH2HRH1S1PR1S1PR3
SCHEMBL20900665 0.89 S1PR5 (0.51) S1PR5HRH2HRH1S1PR1S1PR3
SCHEMBL20426686 0.89 S1PR5 (0.51) S1PR5HRH2HRH1S1PR1S1PR3
SCHEMBL20427358 0.89 S1PR5 (0.51) S1PR5HRH2HRH1S1PR1S1PR3
SCHEMBL19517709 0.88 HRH2 (0.41) S1PR5HRH2HRH1S1PR1DPP4

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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