SCHEMBL7280544

SCHEMBL7280544

COc1ccc(CCNC(=O)CCCCC(=O)NCCNc2ccccc2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
MAPT P10636 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
PLAAT3 P53816 1/20 0.60
PLAAT5 Q96KN8 1/20 0.60
PLAAT2 Q9NWW9 1/20 0.60
PLAAT4 Q9UL19 1/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.58

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
SCHEMBL7278495 0.89 PLAAT3 (0.74) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL23417617 0.88 ALDH1A1 (0.77) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL17117415 0.87 PLAAT3 (0.74) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL10436226 0.86 PLAAT3 (0.73) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4026595 0.86 PLAAT3 (0.80) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11282670 0.86 ERCC1 (0.65) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7274811 0.86 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL23392535 0.85 MAPT (0.77) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL11371390 0.85 ERCC1 (0.64) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL27407288 0.83 EPHX2 (0.74) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1

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
EP-0375668-A2 Phenylethylamines, process for their preparation and compositions containing them FISONS plc (GB) 1990-06-27 EP disclosed
US-4885313-A 3,4-Dihydroxyphenylethylamine derivatives and their use FISONS PLC (GB) 1989-12-05 US disclosed
US-4803225-A Dihydroxy-phenethylamino compounds useful as pharmaceuticals FISONS, PLC (GB) 1989-02-07 US 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