SCHEMBL4715035

SCHEMBL4715035

N=C(N)NCCCCNC(=O)N1CCc2ccccc2C(CC(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.43
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 2/20 0.43
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38
GRIN2B Q13224 3/20 0.38
HTR2C P28335 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL14222776 0.90 GRIN1 (0.49) NAMPTPRMT5WDR77GRIN1GRIN2A
SCHEMBL4718116 0.81 ITGB3 (0.53) NAMPTPRMT5WDR77
SCHEMBL4718124 0.77 ITGB3 (0.51) NAMPT
SCHEMBL4715032 0.77 GRIN1 (0.41) NAMPTPRMT5WDR77GRIN1GRIN2A
SCHEMBL4714486 0.76 SUCNR1 (0.41) NAMPTPRMT5WDR77
SCHEMBL4716885 0.75 SIGMAR1 (0.48) PRMT5WDR77GRIN1GRIN2B
SCHEMBL4720078 0.74 ITGAV (0.57)
SCHEMBL4715242 0.73 GRIN1 (0.46) PRMT5WDR77GRIN1GRIN2B
SCHEMBL14222058 0.72 NAMPT (0.46) NAMPTPRMT5WDR77
SCHEMBL4714889 0.72 ITGAV (0.55)

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-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