SCHEMBL7784935

SCHEMBL7784935

COc1ccc(C(N[C@@H](C)C2CCCCC2)c2cccc(N)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
POLB P06746 1/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 2/20 0.37
ACKR3 P25106 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
EPHX2 P34913 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL27553437 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3POLBALDH1A1
SCHEMBL7785199 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3POLBALDH1A1
SCHEMBL7785494 0.81 NPSR1 (0.47) SLC6A2SLC6A4SLC6A3POLBALDH1A1
SCHEMBL7788974 0.81 NPSR1 (0.47) SLC6A2SLC6A4SLC6A3POLBALDH1A1
SCHEMBL27530382 0.81 NPSR1 (0.47) SLC6A2SLC6A4SLC6A3POLBALDH1A1
SCHEMBL7789190 0.81 ACKR3 (0.41) SLC6A2SLC6A4SLC6A3POLBALDH1A1
SCHEMBL7785718 0.81 ACKR3 (0.41) SLC6A2SLC6A4SLC6A3POLBALDH1A1
SCHEMBL7784989 0.80 ACP3 (0.45) ALDH1A1MEN1KMT2AMAPK1CYP3A4
SCHEMBL7780316 0.78 ACP3 (0.49) ALDH1A1MEN1KMT2ACYP3A4LMNA
SCHEMBL7785096 0.78 MEN1 (0.40) SLC6A2SLC6A4SLC6A3POLBALDH1A1

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