SCHEMBL7785494

SCHEMBL7785494

COc1ccc(C(N[C@H](C)C2CCCCC2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
NFE2L2 Q16236 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL27530382 1.00 NPSR1 (0.47) NPSR1MAPK1MAPTALDH1A1NPC1
SCHEMBL7788974 1.00 NPSR1 (0.47) NPSR1MAPK1MAPTALDH1A1NPC1
SCHEMBL7788967 0.82 MAPK1 (0.51) NPSR1MAPK1MAPTALDH1A1NPC1
SCHEMBL7785199 0.81 SLC6A2 (0.46) MAPK1MAPTALDH1A1RAB9APOLB
SCHEMBL7784935 0.81 SLC6A2 (0.46) MAPK1MAPTALDH1A1RAB9APOLB
SCHEMBL27553437 0.81 SLC6A2 (0.46) MAPK1MAPTALDH1A1RAB9APOLB
SCHEMBL27540196 0.80 ACP3 (0.50) NPSR1MAPK1MAPTALDH1A1NPC1
SCHEMBL7785642 0.80 ACP3 (0.50) NPSR1MAPK1MAPTALDH1A1NPC1
SCHEMBL7785304 0.79 MAPK1 (0.48) NPSR1MAPK1MAPTALDH1A1NPC1
SCHEMBL27556854 0.79 MAPK1 (0.48) NPSR1MAPK1MAPTALDH1A1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed