SCHEMBL6861835

SCHEMBL6861835

CC(C)(C)OC(=O)[C@H](Cc1ccc(OCCCC(=O)NC2=NCCCN2)cc1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.51
ITGAV P06756 10/20 0.51
ITGA2B P08514 9/20 0.51
ITGB1 P05556 1/20 0.40
ITGB5 P18084 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HRH3 Q9Y5N1 3/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL6866389 0.92 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6868790 0.91 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6868159 0.91 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6870327 0.91 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6868246 0.88 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL5567161 0.84 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL6869337 0.84 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6871462 0.82 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6870315 0.82 L3MBTL1 (0.52) ITGB3ITGA2BL3MBTL1ADAMTS4MMP13
SCHEMBL6869118 0.81 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155003-B1 NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA GMBH (DE) 2004-08-11 EP disclosed
US-6340679-B1 FOR INHIBITING BONE RESORPTION, OSTEOPOROSIS, TUMOR GROWTH OR TUMOR METASTASIS, INFLAMMATION, OR FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS, RESTENOSIS, ARTERIOSCLEROSIS, NEPHROPATHIES, RETINOPATHIES OR RHEUMATOID ARTHRITIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-22 US disclosed
EP-1155003-A1 NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2001-11-21 EP disclosed
WO-2000047564-A1 NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-17 WO disclosed
EP-1028114-A1 Novel guanidine derivatives as inhibitors of cell adhesion Aventis Pharma Deutschland GmbH (DE) 2000-08-16 EP disclosed