SCHEMBL7780342

SCHEMBL7780342

COc1ccc(C(NCCC(c2ccccc2)c2ccccc2)c2cccc(N)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.54
HTT P42858 3/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
MITF O75030 1/20 0.54
MEN1 O00255 7/20 0.53
CNR1 P21554 2/20 0.49
CNR2 P34972 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.47
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
CASR P41180 3/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL7787942 0.87 TDP1 (0.49) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL7785046 0.86 TDP1 (0.49) KMT2AHTTALDH1A1MEN1TDP1
SCHEMBL7789152 0.84 SIGMAR1 (0.53) KMT2AALDH1A1LMNAMEN1TDP1
SCHEMBL7785233 0.82 AOC3 (0.52) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL7780357 0.82 TDP1 (0.47) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL7785547 0.80 SLC6A4 (0.42) KMT2AHTTLMNAMEN1TDP1
SCHEMBL7785650 0.80 KMT2A (0.50) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL7785298 0.80 KMT2A (0.44) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL4228575 0.79 MTOR (0.67) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL7789351 0.79 TDP1 (0.41) KMT2AHTTALDH1A1LMNAMAPT

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