SCHEMBL20156367

SCHEMBL20156367

CC(C)(C)OCC(=N)/C(=C\NCCCc1ccc2cccnc2n1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 20/20 0.41
OXGR1 Q96P68 2/20 0.36
BDKRB1 P46663 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
SCHEMBL20156079 0.94 SUCNR1 (0.38) SUCNR1OXGR1BDKRB1
SCHEMBL20156362 0.90 CYP1A2 (0.39) SUCNR1OXGR1BDKRB1
SCHEMBL23912916 0.84 MAPT (0.40) SUCNR1OXGR1BDKRB1
SCHEMBL20156361 0.81 NQO2 (0.30)
SCHEMBL20156364 0.80 SUCNR1 (0.39) SUCNR1OXGR1BDKRB1
SCHEMBL20156279 0.74 SUCNR1 (0.37) SUCNR1OXGR1
SCHEMBL20156365 0.74 MAPT (0.39)
SCHEMBL20156289 0.73 SUCNR1 (0.41) SUCNR1OXGR1BDKRB1
SCHEMBL6424982 0.73 SUCNR1 (0.48) SUCNR1OXGR1BDKRB1
SCHEMBL13719339 0.73 SUCNR1 (0.58) SUCNR1OXGR1BDKRB1

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-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed