SCHEMBL6174366

SCHEMBL6174366

Clc1ccccc1-c1nc(-c2ccccn2)no1.c1ccc(-c2nc(-c3ccccn3)no2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.86
TP53 P04637 10/20 0.76
SMN1; SMN2 Q16637 10/20 0.76
RAB9A P51151 9/20 0.76
NPC1 O15118 9/20 0.76
PKM P14618 8/20 0.76
TSHR P16473 6/20 0.72
MAPT P10636 5/20 0.72
ALDH1A1 P00352 4/20 0.72
HSD17B10 Q99714 3/20 0.72
KDM4E B2RXH2 2/20 0.72
HPGD P15428 2/20 0.72
LMNA P02545 1/20 0.72
KLF5 Q13887 1/20 0.72
MAPK1 P28482 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
MITF O75030 2/20 0.64
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GAA P10253 1/20 0.60

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
SCHEMBL4187023 0.93 GRM5 (1.00) GRM5TP53SMN1; SMN2RAB9ANPC1
SCHEMBL5959953 0.87 PKM (1.00) GRM5TP53SMN1; SMN2RAB9ANPC1
SCHEMBL4198173 0.83 GRM5 (1.00) GRM5TP53SMN1; SMN2RAB9ANPC1
Dimethylamine SCHEMBL4192736 0.81 PKM (0.88) GRM5TP53SMN1; SMN2RAB9ANPC1
SCHEMBL30821175 0.80 GRM5 (1.00) GRM5TP53SMN1; SMN2RAB9ANPC1
SCHEMBL4190470 0.78 GRM5 (1.00) GRM5TP53SMN1; SMN2RAB9ANPC1
SCHEMBL4195323 0.77 GRM5 (1.00) GRM5TP53SMN1; SMN2RAB9ANPC1
SCHEMBL4186570 0.77 TP53 (0.74) GRM5TP53SMN1; SMN2RAB9ANPC1
SCHEMBL9505522 0.76 NPC1 (0.70) GRM5TP53SMN1; SMN2RAB9ANPC1
SCHEMBL1424895 0.76 TP53 (0.77) GRM5TP53SMN1; SMN2RAB9ANPC1

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-1210344-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2005-10-19 EP claimed