SCHEMBL20153460

SCHEMBL20153460

CCOC(=O)CC(N/C=C\C(=N)CCCc1ccc2cccnc2n1)c1ccc(OC)nc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 14/20 0.39
OXGR1 Q96P68 2/20 0.39
ITGB3 P05106 6/20 0.38
ITGAV P06756 6/20 0.38
BDKRB1 P46663 1/20 0.35
ITGB6 P18564 1/20 0.33

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 0.91 SUCNR1 (0.38) SUCNR1OXGR1ITGB3ITGAVBDKRB1
SCHEMBL20153461 0.84 ITGAV (0.59) ITGB3ITGAVITGB6
SCHEMBL20153459 0.81 KCNK3 (0.34) ITGB3ITGAV
SCHEMBL20153712 0.79 SUCNR1 (0.35) SUCNR1OXGR1ITGB3ITGAVBDKRB1
SCHEMBL20153379 0.79 ITGB3 (0.33) SUCNR1OXGR1ITGB3ITGAVITGB6
SCHEMBL21311521 0.77 ITGB3 (0.38) SUCNR1OXGR1ITGB3ITGAVBDKRB1
SCHEMBL20153358 0.76 ITGB3 (0.33) ITGB3ITGAV
SCHEMBL21311532 0.76 ITGB3 (0.44) SUCNR1OXGR1ITGB3ITGAVITGB6
SCHEMBL23559272 0.76 ITGB3 (0.42) SUCNR1OXGR1ITGB3ITGAVITGB6
SCHEMBL20140487 0.76 ITGB3 (0.39) SUCNR1OXGR1ITGB3ITGAVITGB6

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