SCHEMBL6439458

SCHEMBL6439458

O=C(CN1C(=O)CC[C]c2ccccc21)NCCCCCNc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.49
ITGAV P06756 2/20 0.49
ALOX12 P18054 1/20 0.39
LMNA P02545 1/20 0.39
DRD2 P14416 5/20 0.38
ADRA1A P35348 5/20 0.38
DRD3 P35462 5/20 0.38
GAA P10253 2/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6439601 0.80 ITGB3 (0.54) ITGB3ITGAVLMNASMN1; SMN2
SCHEMBL6440635 0.78 ITGB3 (0.55) ITGB3ITGAV
SCHEMBL5026370 0.78 ITGB3 (0.63) ITGB3ITGAV
SCHEMBL6447753 0.71 WDR5 (0.41) ITGB3ITGAVLMNA
SCHEMBL6424193 0.70 ITGB3 (0.59) ITGB3ITGAV
SCHEMBL6445537 0.70 ITGB3 (0.49) ITGB3ITGAVLMNASMN1; SMN2
SCHEMBL31035870 0.70 ALOX12 (0.58) ITGB3ITGAVALOX12GAAHTT
SCHEMBL6440900 0.69 ITGB3 (0.49) ITGB3ITGAV
SCHEMBL6439156 0.69 LMNA (0.51) LMNASMN1; SMN2
SCHEMBL5879524 0.66 ITGB3 (1.00) ITGB3ITGAV

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-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 WO disclosed