SCHEMBL7513866

SCHEMBL7513866

COc1ccc(CC(=O)NCCc2c[nH]c3ccc(OC)cc23)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.88
MEN1 O00255 2/20 0.88
MTNR1A P48039 9/20 0.76
MTNR1B P49286 6/20 0.76
ALDH1A1 P00352 2/20 0.73
KDM4E B2RXH2 1/20 0.73
CYP1A1 P04798 1/20 0.73
MPO P05164 1/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
HTR1A P08908 1/20 0.73
CYP2D6 P10635 1/20 0.73
HPGD P15428 1/20 0.73
NQO2 P16083 1/20 0.73
HTR2B P41595 1/20 0.73
RAB9A P51151 1/20 0.73
BLM P54132 1/20 0.73
PMP22 Q01453 1/20 0.73
CYP1B1 Q16678 1/20 0.73
NOTUM Q6P988 1/20 0.73

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
SCHEMBL7504595 0.95 KMT2A (0.83) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL7505380 0.94 KMT2A (0.81) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL7501961 0.93 KMT2A (0.81) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL7505714 0.92 KMT2A (0.78) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL7509442 0.90 KMT2A (0.76) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL10571334 0.89 KMT2A (0.71) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL10571491 0.88 KMT2A (0.73) KMT2AMEN1MTNR1AMTNR1BALDH1A1
Oxalic Acid SCHEMBL10770410 0.88 KMT2A (0.69) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL5612765 0.87 MTNR1A (0.80) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL29524586 0.87 MTNR1A (0.80) KMT2AMEN1MTNR1AMTNR1BALDH1A1

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-1064284-B1 HYPNOTIC BETA-CARBOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINAL PRODUCTS MACEF (FR) 2002-03-27 EP disclosed
EP-1064284-A1 HYPNOTIC BETA-CARBOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINAL PRODUCTS MACEF (FR) 2001-01-03 EP disclosed
US-6048868-A CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS; ANTIDEPRESSANTS CEMAF (FR) 2000-04-11 US disclosed
WO-1999047521-A1 HYPNOTIC β-CARBOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINAL PRODUCTS MACEF (FR) 1999-09-23 WO disclosed