SCHEMBL1122784

SCHEMBL1122784

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 3/20 0.62
GRN P28799 2/20 0.53
SORT1 Q99523 2/20 0.53
MAOB P27338 2/20 0.51
PARP15 Q460N3 1/20 0.51
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LTA4H P09960 1/20 0.45
CTSS P25774 3/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45

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
SCHEMBL1123151 0.91 MAOB (0.52) GPR132MAOBPARP15PARP14PARP10
SCHEMBL1123390 0.89 GPR132 (0.68) GPR132GRNSORT1CTSSCTSL
SCHEMBL1123119 0.83 GPR132 (0.77) GPR132GRNSORT1CTSSCTSL
SCHEMBL1123392 0.82 GPR132 (0.78) GPR132GRNSORT1CTSSCTSL
SCHEMBL1123575 0.81 GPR132 (0.58) GPR132CTSSCTSLCTSBCTSK
SCHEMBL1123574 0.81 GPR132 (0.58) GPR132CTSSCTSLCTSBCTSK
SCHEMBL27658953 0.81 GPR132 (0.67) GPR132MAOBPARP15PARP14PARP10
SCHEMBL1123679 0.81 GPR132 (0.67) GPR132MAOBPARP15PARP14PARP10
SCHEMBL1123135 0.80 GPR132 (0.54) GPR132GRNSORT1CTSSCTSL
SCHEMBL1122814 0.79 GPR132 (0.53) GPR132GRNSORT1CTSSCTSL

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