SCHEMBL16295540

SCHEMBL16295540

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)OCc4ccccc4)C(=O)N4CCC(C(=O)O)C4)cc3)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 11/20 0.48
▸ ITGA2B P08514 11/20 0.48
▸ ITGAV P06756 1/20 0.47
▸ S1PR5 Q9H228 4/20 0.46
▸ P2RX7 Q99572 3/20 0.45
▸ HRH2 P25021 1/20 0.44
▸ HRH1 P35367 1/20 0.44

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
SCHEMBL16343396 1.00 ITGB3 (0.48) ITGB3ITGA2BITGAVS1PR5P2RX7
SCHEMBL16295969 1.00 ITGB3 (0.48) ITGB3ITGA2BITGAVS1PR5P2RX7
SCHEMBL22384305 0.94 ITGB3 (0.47) ITGB3ITGA2BITGAVP2RX7HRH2
SCHEMBL16305642 0.94 ITGB3 (0.47) ITGB3ITGA2BITGAVP2RX7HRH2
SCHEMBL16343092 0.94 ITGB3 (0.50) ITGB3ITGA2BITGAVS1PR5P2RX7
SCHEMBL16295738 0.94 ITGB3 (0.50) ITGB3ITGA2BITGAVS1PR5P2RX7
SCHEMBL16295824 0.90 ITGB3 (0.49) ITGB3ITGA2BITGAVP2RX7HRH2
SCHEMBL16295823 0.90 ITGB3 (0.49) ITGB3ITGA2BITGAVP2RX7HRH2
SCHEMBL22756121 0.89 ITGB3 (0.55) ITGB3ITGA2BITGAVP2RX7
SCHEMBL17834832 0.89 S1PR5 (0.49) ITGB3ITGA2BS1PR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008056-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2016-04-20 — — EP disclosed
WO-2014201172-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2014-12-18 — — WO disclosed
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