SCHEMBL7947853

SCHEMBL7947853

CN(C)CCOc1ccccc1-c1noc(-c2cccc(Cl)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
NPC1 O15118 5/20 0.51
TSHR P16473 5/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 4/20 0.50
TP53 P04637 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MITF O75030 1/20 0.50
PKM P14618 1/20 0.50
GRM5 P41594 1/20 0.50
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GLA P06280 1/20 0.46
S1PR1 P21453 3/20 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
SCHEMBL7961527 0.91 SMN1; SMN2 (0.55) HTR7SMN1; SMN2NPC1TSHRMAPT
SCHEMBL7954876 0.88 SMN1; SMN2 (0.55) HTR7SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL7956779 0.88 HTR7 (0.52) HTR7SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL7947658 0.88 SMN1; SMN2 (0.56) HTR7SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL5736045 0.87 HTR7 (0.63) HTR7SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL7947522 0.87 HTR7 (0.51) HTR7SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL7954897 0.84 HTR7 (0.56) HTR7SMN1; SMN2NPC1TSHRMAPT
SCHEMBL7957222 0.83 HTR7 (0.53) HTR7SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL7957242 0.83 SMN1; SMN2 (0.50) HTR7SMN1; SMN2NPC1TSHRMAPT
SCHEMBL7958614 0.83 NPC1 (0.50) HTR7SMN1; SMN2NPC1TSHRMAPT

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-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed