SCHEMBL7784919

SCHEMBL7784919

COc1ccc(C(N[C@H](C)c2ccc3ccccc3c2)c2cccc(N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.40
UGT2B7 P16662 1/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
CASR P41180 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 1/20 0.40
KRAS P01116 1/20 0.39
SOS1 Q07889 1/20 0.39
ALOX5 P09917 1/20 0.39
CYP3A4 P08684 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MMP9 P14780 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7780316 0.90 ACP3 (0.49) ACP3ALDH1A1GAALMNACASR
SCHEMBL7784989 0.90 ACP3 (0.45) ACP3ALDH1A1GAALMNACASR
SCHEMBL7780421 0.89 CASR (0.51) ACP3ALDH1A1GAALMNACASR
SCHEMBL27530316 0.85 ALDH1A1 (0.50) ACP3ALDH1A1GAALMNACASR
SCHEMBL7785179 0.85 CASR (0.42) ACP3ALDH1A1GAALMNACASR
SCHEMBL7780790 0.85 ALDH1A1 (0.50) ACP3ALDH1A1GAALMNACASR
SCHEMBL7787542 0.85 CASR (0.40) ACP3ALDH1A1GAALMNACASR
SCHEMBL7785107 0.85 ALDH1A1 (0.50) ACP3ALDH1A1GAALMNACASR
SCHEMBL7780312 0.85 ACP3 (0.41) ACP3ALDH1A1GAALMNACASR
SCHEMBL7780437 0.85 KRAS (0.44) ALDH1A1GAAKRASSOS1MEN1

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