SCHEMBL7741225

SCHEMBL7741225

CCOC(=O)CC=Cc1c(OC)ccc2ccc(OC)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.57
MTNR1B P49286 4/20 0.57
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
TSHR P16473 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TLR9 Q9NR96 1/20 0.43

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
SCHEMBL6633664 0.85 MTNR1A (0.62) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL28307709 0.75 L3MBTL1 (0.55) CYP1A2CYP2C19ALDH1A1HPGDLMNA
SCHEMBL7741232 0.74 MTNR1A (0.57) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL7741222 0.74 MTNR1A (0.57) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL4752950 0.74 MTNR1A (0.59) MTNR1AMTNR1BALDH1A1HPGDMAPT
SCHEMBL7741712 0.73 MTNR1A (0.60) MTNR1AMTNR1BTSHRALDH1A1HPGD
SCHEMBL28204954 0.72 CYP1A1 (0.50) CYP1A2CYP3A4CYP2D6ALDH1A1HPGD
SCHEMBL5227187 0.72 MTNR1A (0.59) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL2691222 0.70 CYP1A2 (0.65) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL28566878 0.70 CNR2 (0.57) MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1247528-C Novel tricyclic compounds, preparation method and pharmaceutical compositions containing same SIRVIR LAB (FR) 2006-03-29 CN disclosed
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed
CN-1285817-A Novel tricyclic compounds, preparation method and pharmaceutical compositions containing same ADIR (FR) 2001-02-28 CN disclosed