SCHEMBL7286125

SCHEMBL7286125

COc1cc(CCc2c(CCNC(=O)CCCCC(=O)NCCc3ccccc3)ccc(OC)c2OC)cc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
HPGD P15428 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CNR1 P21554 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
PLAAT3 P53816 1/20 0.48

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
SCHEMBL7294870 0.93 SLC2A1 (0.70) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7274157 0.93 HPGD (0.58) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7288312 0.93 SLC2A1 (0.72) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7433595 0.93 SLC2A1 (0.72) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7445759 0.93 SLC2A1 (0.72) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7274466 0.92 ALDH1A1 (0.59) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7442962 0.91 SLC2A1 (0.70) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7293563 0.90 SLC2A1 (0.65) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7294216 0.89 SLC2A1 (0.69) SLC2A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7294302 0.89 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 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