SCHEMBL4715004

SCHEMBL4715004

CC(C)(CNC(=O)N1CCC(CC(=O)O)c2ccccc2C1)CNc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.44
ITGAV P06756 14/20 0.44
ITGA2B P08514 11/20 0.44
ITGB5 P18084 6/20 0.44
ITGB1 P05556 1/20 0.42
GRIN2B Q13224 2/20 0.40
NAMPT P43490 2/20 0.40
NOS2 P35228 1/20 0.37

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
SCHEMBL4714941 0.91 GRIN2B (0.39) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4791386 0.86 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4760017 0.85 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4761797 0.85 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4762284 0.84 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4761828 0.81 DPP4 (0.50) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4791069 0.79 NOS2 (0.47) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4791067 0.79 NOS2 (0.47) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4762157 0.79 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4760436 0.79 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216230-B1 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC (US) 2008-04-23 EP disclosed
EP-1216230-B1 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC (US) 2008-04-23 EP disclosed
US-6514964-B1 Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors AMGEN INC. 2003-02-04 US disclosed