SCHEMBL4717852

SCHEMBL4717852

NC1=NC(CCCNC(=O)N2CCC(CC(=O)O)c3ccccc3C2)CS1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 0.42
GABRA1 P14867 3/20 0.40
GABRR1 P24046 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRB2 P47870 3/20 0.40
GABRA4 P48169 3/20 0.40
SLC6A12 P48065 1/20 0.40
SLC6A13 Q9NSD5 1/20 0.40
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL4717853 0.78 NAMPT (0.42) NAMPT
SCHEMBL4761347 0.77 NAMPT (0.43) NAMPT
Hydrochloric Acid SCHEMBL4760424 0.77 NAMPT (0.43) NAMPTPRMT5WDR77
SCHEMBL4760969 0.77 NAMPT (0.48) NAMPT
SCHEMBL4717646 0.76 NAMPT (0.47) NAMPT
SCHEMBL14222058 0.75 NAMPT (0.46) NAMPTPRMT5WDR77
SCHEMBL4717310 0.75 KEAP1 (0.50) NAMPT
SCHEMBL4761797 0.75 ITGB3 (0.53) NAMPT
SCHEMBL4760017 0.75 ITGB3 (0.54) NAMPT
SCHEMBL4789267 0.75 NAMPT (0.46) NAMPTPRMT5WDR77

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