SCHEMBL6440635

SCHEMBL6440635

O=C(CN1C(=O)CC[C]c2ccccc21)NCCCCNc1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.55
ITGAV P06756 13/20 0.55
KCNH2 Q12809 2/20 0.44
HSD17B10 Q99714 1/20 0.42
BCHE P06276 2/20 0.42
TRPC3 Q13507 1/20 0.42
TRPC4 Q9UBN4 1/20 0.42
TRPC5 Q9UL62 1/20 0.42
TSHR P16473 1/20 0.39

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
SCHEMBL6440900 0.90 ITGB3 (0.49) ITGB3ITGAVKCNH2HSD17B10BCHE
SCHEMBL6440629 0.83 ITGB3 (0.56) ITGB3ITGAVKCNH2HSD17B10BCHE
SCHEMBL6438902 0.82 ITGB3 (0.57) ITGB3ITGAVKCNH2HSD17B10BCHE
SCHEMBL6439847 0.82 ITGB3 (0.51) ITGB3ITGAVKCNH2BCHETRPC3
SCHEMBL6440168 0.82 ITGB3 (0.67) ITGB3ITGAVHSD17B10
SCHEMBL6446498 0.81 ITGB3 (0.46) ITGB3ITGAVHSD17B10
SCHEMBL6424626 0.81 ITGB3 (0.59) ITGB3ITGAVKCNH2HSD17B10BCHE
SCHEMBL5025667 0.79 ITGB3 (0.72) ITGB3ITGAV
SCHEMBL5024060 0.78 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL6427265 0.78 ITGB3 (0.49) ITGB3ITGAVKCNH2BCHETRPC3

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