SCHEMBL7780402

SCHEMBL7780402

O=[N+]([O-])c1cccc([C@H](NCCc2ccccc2)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.55
GRM4 Q14833 1/20 0.55
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 3/20 0.54
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
THRB P10828 1/20 0.51
ALOX12 P18054 1/20 0.51
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.47
ACP3 P15309 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 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
SCHEMBL7780406 1.00 GRM8 (0.55) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL27556859 0.93 GRM8 (0.50) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL27530416 0.93 GRM8 (0.50) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL27530331 0.93 GRM8 (0.50) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL27530411 0.93 GRM8 (0.50) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL27556857 0.93 GRM8 (0.50) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL27530328 0.93 GRM8 (0.50) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL7780743 0.90 KMT2A (0.52) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL28744359 0.89 GRM8 (0.49) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL28744362 0.89 GRM8 (0.49) GRM8GRM4ALDH1A1SMN1; SMN2HPGD

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 2 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
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed