SCHEMBL7279399

SCHEMBL7279399

COc1ccc(CC#N)c(CCc2ccccc2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
ABCB1 P08183 3/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNH2 Q12809 1/20 0.38
HPGD P15428 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
SCHEMBL7433650 0.88 KDM4E (0.50) SLC2A1ABCB1SMN1; SMN2
SCHEMBL7274263 0.87 POLB (0.46) SLC2A1ABCB1ABCG2POLBSMN1; SMN2
SCHEMBL7438265 0.86 TUBB4A (0.48) SLC2A1ABCB1
SCHEMBL7286452 0.86 SLC2A1 (0.45) SLC2A1ABCB1ABCG2POLBSMN1; SMN2
SCHEMBL7283720 0.86 SLC2A1 (0.58) SLC2A1ABCB1ABCG2
SCHEMBL7285255 0.85 SLC2A1 (0.47) SLC2A1ABCB1POLB
SCHEMBL7285836 0.84 KDM4E (0.48) SLC2A1ABCB1ABCG2SMN1; SMN2
SCHEMBL7283185 0.82 AOC3 (0.39) SLC2A1POLBSMN1; SMN2
SCHEMBL10383098 0.82 SLC2A1 (0.42) SLC2A1SMN1; SMN2
SCHEMBL10648349 0.82 AOC3 (0.39) SLC2A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292202-B1 2-(3,4-DIHYDROXYPHENYL ETHYL AMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL COMPOUNDS FISONS plc (GB) 1992-09-02 EP disclosed
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
US-4885313-A 3,4-Dihydroxyphenylethylamine derivatives and their use FISONS PLC (GB) 1989-12-05 US disclosed
EP-0314725-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS plc (GB) 1989-05-10 EP disclosed
US-4803225-A Dihydroxy-phenethylamino compounds useful as pharmaceuticals FISONS, PLC (GB) 1989-02-07 US 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
US-4720586-A Substituted 3,4-dihydroxy-phenylethylamino compounds FISONS, PLC (GB) 1988-01-19 US disclosed
EP-0142283-A2 Phenylethylamines, process for their preparation and compositions containing them FISONS plc (GB) 1985-05-22 EP disclosed