SCHEMBL6440168

SCHEMBL6440168

O=C(CN1C(=O)CC[C]c2ccccc21)NCc1ccc(Nc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.67
ITGAV P06756 14/20 0.67
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6445908 0.88 ITGB3 (0.58) ITGB3ITGAVL3MBTL1
SCHEMBL6444182 0.86 ITGB3 (0.56) ITGB3ITGAVMAPK1L3MBTL1HSD17B10
SCHEMBL6445537 0.86 ITGB3 (0.49) ITGB3ITGAVMAPK1L3MBTL1
SCHEMBL6439442 0.85 ITGB3 (0.50) ITGB3ITGAV
SCHEMBL6441545 0.84 ITGB3 (0.57) ITGB3ITGAVHSD17B10
SCHEMBL6444230 0.84 ITGB3 (0.68) ITGB3ITGAVMAPK1L3MBTL1HSD17B10
SCHEMBL6439782 0.84 ITGB3 (0.57) ITGB3ITGAVHSD17B10
SCHEMBL5026328 0.83 ITGB3 (0.70) ITGB3ITGAVMAPK1
SCHEMBL6440635 0.82 ITGB3 (0.55) ITGB3ITGAVHSD17B10
SCHEMBL6439743 0.82 ITGB3 (0.45) 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