SCHEMBL1123151

SCHEMBL1123151

COC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(OCc2cccc(Br)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
GPR132 Q9UNW8 1/20 0.51
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.49
PARP15 Q460N3 1/20 0.49
PARP14 Q460N5 1/20 0.49
PARP10 Q53GL7 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
PSMD14 O00487 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL1122784 0.91 GPR132 (0.62) MAOBGPR132RAB9APARP15PARP14
SCHEMBL1123574 0.89 GPR132 (0.58) GPR132RAB9AGAACTSSMRGPRX4
SCHEMBL1123575 0.89 GPR132 (0.58) GPR132RAB9AGAACTSSMRGPRX4
SCHEMBL1123253 0.83 GPR132 (0.65) GPR132RAB9AGAACTSSCTSL
SCHEMBL1122740 0.82 GPR132 (0.66) MAOBGPR132CTSSCTSLCTSK
SCHEMBL1123215 0.82 TAS1R3 (0.53) GPR132RAB9AGAAMAPTHTT
SCHEMBL1123063 0.81 GAA (0.67) MAOBGPR132RAB9AGAAPARP15
SCHEMBL27638044 0.81 GAA (0.67) MAOBGPR132RAB9AGAAPARP15
SCHEMBL1122538 0.80 BDKRB2 (0.50) GPR132RAB9AGAACTSSCTSL
SCHEMBL1123390 0.80 GPR132 (0.68) GPR132CTSSCTSLCTSKCTSB

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
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed