SCHEMBL20153379

SCHEMBL20153379

COc1ccc(C(CC(=O)OC(C)(C)C)N/C=C\C(=N)/C=C/CCc2ccc3cccnc3n2)cn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.33
ITGAV P06756 8/20 0.33
SUCNR1 Q9BXA5 3/20 0.32
OXGR1 Q96P68 1/20 0.32
KCNK3 O14649 4/20 0.32
ITGB6 P18564 3/20 0.31
TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL24521880 0.88 SUCNR1 (0.38) ITGB3ITGAVSUCNR1OXGR1ITGB6
SCHEMBL20153460 0.79 SUCNR1 (0.39) ITGB3ITGAVSUCNR1OXGR1ITGB6
SCHEMBL21311666 0.76 ITGB3 (0.34) ITGB3ITGAVSUCNR1ITGB6
SCHEMBL20153358 0.76 ITGB3 (0.33) ITGB3ITGAVKCNK3TRPM8
SCHEMBL21311584 0.74 ITGB3 (0.38) ITGB3ITGAVSUCNR1OXGR1ITGB6
SCHEMBL24521878 0.72 ITGAV (0.57) ITGB3ITGAVITGB6
SCHEMBL24521828 0.71 ITGAV (0.60) ITGB3ITGAVITGB6
SCHEMBL21311741 0.69 ITGB3 (0.37) ITGB3ITGAVSUCNR1OXGR1ITGB6
SCHEMBL20153475 0.68 ITGB3 (0.36) ITGB3ITGAVSUCNR1OXGR1ITGB6
SCHEMBL20140734 0.68 ITGB3 (0.38) ITGB3ITGAVSUCNR1OXGR1ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed