SCHEMBL6441098

SCHEMBL6441098

O=C(c1csc(CN2C(=O)CC[C]c3ccccc32)n1)N1CCC(CNc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.38
ITGAV P06756 11/20 0.38
HTR2B P41595 1/20 0.37
SLC40A1 Q9NP59 7/20 0.37
ITGA2B P08514 1/20 0.35
ITGB5 P18084 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL5024072 0.85 ITGB3 (0.56) ITGB3ITGAVHTR2BSLC40A1
SCHEMBL6426185 0.82 ITGB3 (0.51) ITGB3ITGAVSLC40A1
SCHEMBL5028389 0.82 ITGB3 (0.41) ITGB3ITGAVHTR2BSLC40A1ITGA2B
SCHEMBL6439157 0.73 ITGB3 (0.40) ITGB3ITGAV
SCHEMBL6439941 0.73 ITGB3 (0.49) ITGB3ITGAV
SCHEMBL6439335 0.70 GRIN2B (0.41) ITGB3ITGAVITGA2BITGB5GRIN2B
SCHEMBL5897564 0.70 HTR2B (0.53) ITGB3ITGAVHTR2BITGA2BITGB5
SCHEMBL6440635 0.70 ITGB3 (0.55) ITGB3ITGAV
SCHEMBL6426183 0.69 ITGB3 (0.51) ITGB3ITGAVSLC40A1
SCHEMBL6446498 0.69 ITGB3 (0.46) 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