SCHEMBL20156331

SCHEMBL20156331

CC(C)(C)OC(=O)N1CCCc2ccc(CCN/C=C(\C=N)C=O)nc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.37
FGFR4 P22455 16/20 0.36
GPR119 Q8TDV5 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ITGAV P06756 1/20 0.32
ITGB6 P18564 1/20 0.32

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
SCHEMBL20156351 0.88 MPO (0.35) MPOFGFR4GPR119NPC1RAB9A
SCHEMBL20156071 0.88 MPO (0.35) MPOFGFR4GPR119NPC1RAB9A
SCHEMBL20156073 0.85 FGFR4 (0.34) MPOFGFR4GPR119NPC1RAB9A
SCHEMBL20158352 0.82 MPO (0.39) MPOFGFR4NPC1RAB9A
SCHEMBL29416391 0.80 MPO (0.38) MPOFGFR4GPR119NPC1RAB9A
SCHEMBL20158202 0.80 MPO (0.38) MPOFGFR4GPR119NPC1RAB9A
SCHEMBL27406314 0.80 MPO (0.40) MPOFGFR4NPC1RAB9A
SCHEMBL31076000 0.80 MPO (0.37) MPOFGFR4GPR119NPC1RAB9A
SCHEMBL20025188 0.80 MPO (0.37) MPOFGFR4GPR119NPC1RAB9A
SCHEMBL14380644 0.79 MPO (0.38) MPOFGFR4GPR119NPC1RAB9A

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