SCHEMBL7785547

SCHEMBL7785547

COc1ccc(C(NCCC2CCCCC2)c2cccc(N)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
SLC6A2 P23975 1/20 0.42
KLK7 P49862 1/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL7785626 0.82 MEN1 (0.41) KLK7HTTCTSLCTSSKDM4E
SCHEMBL7780342 0.80 KMT2A (0.54) HTTTDP1MEN1LMNAKMT2A
SCHEMBL7785243 0.78 MEN1 (0.41) KLK7HTTCTSLCTSSKDM4E
SCHEMBL27553437 0.77 SLC6A2 (0.46) SLC6A4SLC6A3SLC6A2HTTKDM4E
SCHEMBL7785199 0.77 SLC6A2 (0.46) SLC6A4SLC6A3SLC6A2HTTKDM4E
SCHEMBL7784935 0.77 SLC6A2 (0.46) SLC6A4SLC6A3SLC6A2HTTKDM4E
SCHEMBL17065063 0.77 KLKB1 (0.47) SLC6A4SLC6A3SLC6A2
SCHEMBL31067562 0.77 KLKB1 (0.47) SLC6A4SLC6A3SLC6A2
SCHEMBL7785046 0.77 TDP1 (0.49) HTTTDP1KDM4EMEN1KMT2A
SCHEMBL7785644 0.75 RAB9A (0.47) MEN1KMT2A

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