SCHEMBL7958865

SCHEMBL7958865

C[C@@H]([C@@H](Oc1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.48
RAB9A P51151 8/20 0.48
NPC1 O15118 8/20 0.48
GAA P10253 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
TP53 P04637 7/20 0.47
HSD17B10 Q99714 6/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 7/20 0.46
L3MBTL1 Q9Y468 6/20 0.46
MAPT P10636 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 2/20 0.46
NFKB1 P19838 4/20 0.46
NFKB2 Q00653 4/20 0.46
RELA Q04206 4/20 0.46
HPGD P15428 3/20 0.46

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
SCHEMBL7956586 1.00 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1GAAGPR55
SCHEMBL7957183 0.79 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1GAAGPR55
Dimethylamine SCHEMBL7957188 0.78 GPR55 (0.55) SMN1; SMN2RAB9ANPC1GAAGPR55
SCHEMBL6428833 0.76 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1GAAGPR55
SCHEMBL7961699 0.74 SMN1; SMN2 (0.81) SMN1; SMN2RAB9ANPC1GAAGPR55
Irampanel SCHEMBL678128 0.71 HTR7 (0.63) SMN1; SMN2RAB9ANPC1GAAGPR55
SCHEMBL7956985 0.71 KMT2A (0.55) SMN1; SMN2RAB9ANPC1GAAGPR55
Irampanel SCHEMBL6879876 0.70 HTR7 (0.62) SMN1; SMN2RAB9ANPC1GAAGPR55
SCHEMBL7956772 0.68 TTR (0.52) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL5734604 0.66 NPSR1 (0.59) SMN1; SMN2RAB9ANPC1GAAGPR55

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