SCHEMBL7433595

SCHEMBL7433595

COc1cccc(CCc2c(CCNC(=O)CCCCCCCC(=O)NCCc3ccccc3)ccc(OC)c2OC)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.72
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
EPHX2 P34913 2/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL7445759 1.00 SLC2A1 (0.72) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7288312 1.00 SLC2A1 (0.72) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7294870 0.99 SLC2A1 (0.70) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7442962 0.97 SLC2A1 (0.70) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7293563 0.96 SLC2A1 (0.65) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7292845 0.95 SLC2A1 (0.65) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7294216 0.95 SLC2A1 (0.69) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7285648 0.94 SLC2A1 (0.64) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7296318 0.94 SLC2A1 (0.64) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7294302 0.94 SLC2A1 (0.64) SLC2A1MEN1KMT2AMTNR1AMTNR1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4939147-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC. (GB) 1990-07-03 US disclosed
US-4922022-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC (GB) 1990-05-01 US disclosed
EP-0314725-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS plc (GB) 1989-05-10 EP disclosed
WO-1988009326-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS PLC (GB) 1988-12-01 WO disclosed
EP-0292202-A1 2-(3,4-Dihydroxyphenyl ethyl amines, their preparation and use as pharmaceutical compounds FISONS plc (GB) 1988-11-23 EP disclosed