SCHEMBL4714690

SCHEMBL4714690

O=C(O)CC1CCN(C(=O)NCCCc2nc3cccnc3[nH]2)Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.42
PARP1 P09874 5/20 0.42
PARP2 Q9UGN5 4/20 0.42
NAMPT P43490 14/20 0.41
TNKS2 Q9H2K2 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
SCHEMBL4717909 0.91 TNKS (0.40) TNKSPARP1PARP2NAMPTTNKS2
SCHEMBL4714688 0.88 NAMPT (0.41) TNKSPARP1PARP2NAMPT
SCHEMBL4760969 0.80 NAMPT (0.48) NAMPT
SCHEMBL4717908 0.79 NAMPT (0.39) TNKSPARP1PARP2NAMPTTNKS2
SCHEMBL4761797 0.78 ITGB3 (0.53) NAMPT
SCHEMBL4760017 0.78 ITGB3 (0.54) NAMPT
SCHEMBL4762284 0.78 ITGB3 (0.53) NAMPT
SCHEMBL4761347 0.77 NAMPT (0.43) NAMPT
SCHEMBL4714544 0.77 NAMPT (0.47) NAMPT
SCHEMBL4791386 0.76 ITGB3 (0.51) 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 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