SCHEMBL7284652

SCHEMBL7284652

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

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.67
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 4/20 0.51
GAA P10253 1/20 0.51
MTNR1A P48039 4/20 0.49
MTNR1B P49286 4/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL7284646 1.00 SLC2A1 (0.67) SLC2A1ALDH1A1KDM4EGAAMTNR1A
SCHEMBL7294216 0.92 SLC2A1 (0.69) SLC2A1ALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL7294870 0.91 SLC2A1 (0.70) SLC2A1MTNR1AMTNR1BHPGDMEN1
SCHEMBL7442962 0.91 SLC2A1 (0.70) SLC2A1MTNR1AMTNR1BHPGDMEN1
SCHEMBL7433595 0.90 SLC2A1 (0.72) SLC2A1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL7445759 0.90 SLC2A1 (0.72) SLC2A1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL7288312 0.90 SLC2A1 (0.72) SLC2A1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL7437712 0.89 SLC2A1 (0.65) SLC2A1ALDH1A1KDM4EGAAMTNR1A
SCHEMBL7438576 0.89 SLC2A1 (0.65) SLC2A1ALDH1A1KDM4EGAAMTNR1A
SCHEMBL7293563 0.87 SLC2A1 (0.65) SLC2A1MTNR1AMTNR1BMEN1KMT2A

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