SCHEMBL2050644

SCHEMBL2050644

O=C(O)N1CCCC1c1nc(-c2ccc(Br)cc2)no1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.61
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CPT1A P50416 5/20 0.53
CPT2 P23786 2/20 0.53
CPT1B Q92523 1/20 0.53
HCRTR1 O43613 2/20 0.52
HCRTR2 O43614 2/20 0.52
NR1H4 Q96RI1 1/20 0.51

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
SCHEMBL1951889 0.85 GRM5 (0.55) GRM5NPC1RAB9AL3MBTL1CPT1A
SCHEMBL1951891 0.85 GRM5 (0.55) GRM5NPC1RAB9AL3MBTL1CPT1A
SCHEMBL14061485 0.84 GRM5 (0.54) GRM5CPT1AHCRTR1HCRTR2
SCHEMBL14061487 0.82 CPT1A (0.55) GRM5CPT1ACPT2CPT1BHCRTR1
SCHEMBL17654719 0.82 CPT1A (0.53) GRM5CPT1A
SCHEMBL17654721 0.82 CPT1A (0.53) GRM5CPT1A
SCHEMBL17654626 0.82 NR1H4 (0.60) GRM5CPT1ACPT2CPT1BNR1H4
SCHEMBL17654623 0.82 NR1H4 (0.60) GRM5CPT1ACPT2CPT1BNR1H4
SCHEMBL15176171 0.82 CPT1A (0.57) GRM5CPT1ACPT2CPT1BHCRTR1
SCHEMBL15175291 0.81 HCRTR1 (0.57) GRM5CPT1ACPT2CPT1BHCRTR1

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
WO-2012162635-A1 METABOTROPIC GLUTAMATE RECEPTORS 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-11-29 WO disclosed
WO-2011068941-A2 PROLINE DERIVATIVES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-06-09 WO disclosed