SCHEMBL8124279

SCHEMBL8124279

COc1cccc(-c2oc3ccccc3c2CCNC(C)=O)c1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.75
MTNR1B P49286 18/20 0.75
KDM4E B2RXH2 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
HPGD P15428 2/20 0.56
CYP2C19 P33261 2/20 0.56
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL8128191 0.86 MTNR1A (1.00) MTNR1AMTNR1BKDM4ECYP3A4CYP2D6
SCHEMBL8127354 0.75 MTNR1A (0.80) MTNR1AMTNR1BKDM4ECYP3A4CYP2D6
SCHEMBL6251228 0.74 MTNR1A (0.69) MTNR1AMTNR1B
SCHEMBL6257501 0.74 MTNR1A (0.69) MTNR1AMTNR1BKDM4ECYP3A4CYP2D6
SCHEMBL13436443 0.74 MTNR1A (0.86) MTNR1AMTNR1BKDM4ECYP3A4CYP2D6
SCHEMBL8131821 0.74 MTNR1A (1.00) MTNR1AMTNR1BKDM4EHPGDMEN1
SCHEMBL8131312 0.73 MTNR1A (1.00) MTNR1AMTNR1BKDM4EHPGDMEN1
SCHEMBL7022296 0.72 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8126347 0.72 MTNR1A (1.00) MTNR1AMTNR1BKDM4EHPGDTSHR
SCHEMBL7527814 0.72 KDM4E (0.65) KDM4ECYP3A4CYP2D6CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6147110-A MELATONINERGIC AGENTS; SLEEP, EATING, CENTRAL NERVOUS SYSTEM, AND CARDIOVASCULAR DISORDERS ADIR ET COMPAGNIE (FR) 2000-11-14 US claimed