SCHEMBL22384305

SCHEMBL22384305

CCCCCCCOc1ccc(-c2cnc(-c3ccc(CC(NC(=O)OCc4ccccc4)C(=O)N4CC[C@H](C(=O)OC)C4)cc3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.47
▸ ITGA2B P08514 12/20 0.47
▸ ITGAV P06756 1/20 0.46
▸ HRH2 P25021 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ P2RX7 Q99572 3/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ YAP1 P46937 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41

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
SCHEMBL16305642 1.00 ITGB3 (0.47) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL16295540 0.94 ITGB3 (0.48) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL16343396 0.94 ITGB3 (0.48) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL16295969 0.94 ITGB3 (0.48) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL16295824 0.94 ITGB3 (0.49) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL16295823 0.94 ITGB3 (0.49) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL16343092 0.90 ITGB3 (0.50) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL16295738 0.90 ITGB3 (0.50) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL22756121 0.88 ITGB3 (0.55) ITGB3ITGA2BITGAVP2RX7
SCHEMBL16305994 0.88 HRH2 (0.48) ITGB3ITGA2BITGAVHRH2HRH1

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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