SCHEMBL7956772

SCHEMBL7956772

CC(C)c1ccc(-c2noc(-c3ccccc3OCCN(C)C)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTR7 P34969 2/20 0.49
SMN1; SMN2 Q16637 7/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
HSD17B10 Q99714 5/20 0.48
TP53 P04637 5/20 0.48
RXFP1 Q9HBX9 1/20 0.48
GAA P10253 2/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 3/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
USP2 O75604 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7956790 0.89 TTR (0.54) TTRNPSR1HTR7SMN1; SMN2NPC1
SCHEMBL7955222 0.89 TTR (0.54) TTRNPSR1HTR7SMN1; SMN2NPC1
Irampanel SCHEMBL678128 0.88 HTR7 (0.63) TTRNPSR1HTR7SMN1; SMN2NPC1
SCHEMBL7955292 0.87 TTR (0.55) TTRNPSR1HTR7SMN1; SMN2NPC1
SCHEMBL7958390 0.87 TTR (0.55) TTRNPSR1HTR7SMN1; SMN2NPC1
Irampanel SCHEMBL6879876 0.87 HTR7 (0.62) TTRNPSR1HTR7SMN1; SMN2NPC1
SCHEMBL5736080 0.86 NPSR1 (0.54) TTRNPSR1HTR7SMN1; SMN2NPC1
SCHEMBL7958824 0.86 SMN1; SMN2 (0.51) TTRNPSR1HTR7SMN1; SMN2NPC1
SCHEMBL7956669 0.85 TTR (0.56) TTRNPSR1HTR7SMN1; SMN2NPC1
SCHEMBL7961594 0.85 MAPT (0.59) TTRNPSR1HTR7SMN1; SMN2NPC1

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