SCHEMBL7294302

SCHEMBL7294302

COc1ccc(CCNC(=O)CCCCC(=O)NCCc2ccc(OC)c(OC)c2CCc2cccc(OC)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.64
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53

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
SCHEMBL7292845 0.99 SLC2A1 (0.65) SLC2A1MEN1KMT2AALDH1A1MAPT
SCHEMBL7293563 0.96 SLC2A1 (0.65) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7286147 0.95 SLC2A1 (0.58) SLC2A1MEN1KMT2AALDH1A1MAPT
SCHEMBL7294870 0.95 SLC2A1 (0.70) SLC2A1MEN1KMT2ASMN1; SMN2MTNR1A
SCHEMBL7285832 0.94 SLC2A1 (0.61) SLC2A1MEN1KMT2AALDH1A1MAPT
SCHEMBL7288312 0.94 SLC2A1 (0.72) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7445759 0.94 SLC2A1 (0.72) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7433595 0.94 SLC2A1 (0.72) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7293849 0.94 SLC2A1 (0.61) SLC2A1MEN1KMT2AALDH1A1MAPT
SCHEMBL7293183 0.94 SLC2A1 (0.61) SLC2A1MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223598-B1 CATECHOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF FISONS plc (GB) 1991-06-12 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-4883804-A Aromatic compounds FISONS PLC (GB) 1989-11-28 US disclosed