SCHEMBL740389

SCHEMBL740389

O=C1NC(Cc2ccc(Br)cc2)C(C(=O)O)O1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.36
MAOB P27338 1/20 0.34
FFAR1 O14842 1/20 0.33
PPARA Q07869 1/20 0.33
CES2 O00748 1/20 0.33
TGM2 P21980 1/20 0.33
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
PDPK1 O15530 1/20 0.32
MME P08473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MDM2 Q00987 2/20 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
SCHEMBL13172946 1.00 OPRL1 (0.36) OPRL1MAOBFFAR1PPARACES2
SCHEMBL740390 1.00 OPRL1 (0.36) OPRL1MAOBFFAR1PPARACES2
SCHEMBL740391 1.00 OPRL1 (0.36) OPRL1MAOBFFAR1PPARACES2
SCHEMBL7838610 0.86 OPRL1 (0.44) OPRL1
SCHEMBL6569671 0.86 OPRL1 (0.44) OPRL1
SCHEMBL5652297 0.86 OPRL1 (0.44) OPRL1
SCHEMBL10420330 0.86 OPRL1 (0.44) OPRL1
SCHEMBL6875994 0.85 OPRL1 (0.36) OPRL1
SCHEMBL13172940 0.75 MDM2 (0.35) MAOBFFAR1PPARACES2MEN1
SCHEMBL13534719 0.72 OPRL1 (0.42) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed