SCHEMBL4790644

SCHEMBL4790644

CNc1cccc(CCCNC(=O)N2CCC(CC(=O)O)c3ccccc3C2)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 0.42
ITGB3 P05106 2/20 0.40
ITGAV P06756 2/20 0.40
ITGA2B P08514 1/20 0.40
ITGB6 P18564 1/20 0.39
APP P05067 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL4715869 0.89 NAMPT (0.45) NAMPTITGB3ITGAVITGA2B
SCHEMBL4761347 0.88 NAMPT (0.43) NAMPTITGB3ITGAVITGA2B
SCHEMBL4760275 0.87 NAMPT (0.39) NAMPTITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL4760424 0.87 NAMPT (0.43) NAMPTITGB3ITGAVITGA2B
SCHEMBL4717476 0.83 NAMPT (0.42) NAMPT
SCHEMBL4762054 0.82 NAMPT (0.42) NAMPTITGB3ITGAVITGA2B
SCHEMBL4791224 0.81 ITGAV (0.57) ITGB3ITGAVITGA2BITGB6
SCHEMBL4789561 0.81 ITGAV (0.57) ITGB3ITGAVITGA2BITGB6
SCHEMBL4715261 0.80 NAMPT (0.40) NAMPTITGB3ITGAVITGA2B
SCHEMBL4761797 0.79 ITGB3 (0.53) NAMPTITGB3ITGAVITGA2B

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 4 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 claimed
US-6514964-B1 Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors AMGEN INC. 2003-02-04 US claimed
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