SCHEMBL4791121

SCHEMBL4791121

COC(=O)CC1CCN(C(=O)NCCCCNC(=O)OC(C)(C)C)Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.47
NAMPT P43490 10/20 0.46
DRD2 P14416 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL4790954 0.87 NAMPT (0.47) NAMPT
SCHEMBL4760965 0.79 NAMPT (0.45) NAMPT
SCHEMBL3702879 0.78 NAMPT (0.72) NAMPT
SCHEMBL4715261 0.78 NAMPT (0.40) NAMPT
SCHEMBL4760275 0.77 NAMPT (0.39) NAMPTDRD2SIGMAR1
SCHEMBL4717476 0.76 NAMPT (0.42) NAMPTTDP1
SCHEMBL4717909 0.75 TNKS (0.40) NAMPT
SCHEMBL4718481 0.75 PTGDR2 (0.38) CACNA1GNAMPTTDP1
SCHEMBL4714941 0.74 GRIN2B (0.39) NAMPT
SCHEMBL4717908 0.74 NAMPT (0.39) NAMPT

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