SCHEMBL6427265

SCHEMBL6427265

CC(C)(C)C1CC[C]c2ccccc2N1CC(=O)NCCCCCNc1nc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.49
ITGAV P06756 10/20 0.49
BCHE P06276 2/20 0.44
KCNH2 Q12809 2/20 0.41
TRPC3 Q13507 1/20 0.40
TRPC4 Q9UBN4 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
TSHR P16473 1/20 0.38
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ITGA2B P08514 1/20 0.36
ITGB5 P18084 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
SCHEMBL6441642 0.83 ITGB3 (0.53) ITGB3ITGAVBCHE
SCHEMBL6439847 0.80 ITGB3 (0.51) ITGB3ITGAVBCHEKCNH2TRPC3
SCHEMBL6440635 0.78 ITGB3 (0.55) ITGB3ITGAVBCHEKCNH2TRPC3
SCHEMBL6440900 0.70 ITGB3 (0.49) ITGB3ITGAVBCHEKCNH2TRPC3
SCHEMBL5025679 0.69 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB5
SCHEMBL6438902 0.68 ITGB3 (0.57) ITGB3ITGAVBCHEKCNH2TRPC3
SCHEMBL5024060 0.68 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB5
SCHEMBL6440629 0.67 ITGB3 (0.56) ITGB3ITGAVBCHEKCNH2TRPC3
SCHEMBL6424626 0.67 ITGB3 (0.59) ITGB3ITGAVBCHEKCNH2TRPC3
SCHEMBL4640990 0.67 BCHE (0.87) BCHEKCNH2TRPC3TRPC4TRPC5

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 4 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-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 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