SCHEMBL7741712

SCHEMBL7741712

CCOC(=O)CCCc1c(OC)ccc2ccc(OC)cc12

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.60
MTNR1B P49286 10/20 0.60
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.47
TNF P01375 2/20 0.46

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
SCHEMBL6637953 0.86 MTNR1A (0.60) MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL11418268 0.82 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1
SCHEMBL15757946 0.78 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1
SCHEMBL8293076 0.77 MTNR1A (0.62) MTNR1AMTNR1BNPC1ALDH1A1GAA
Hydrochloric Acid SCHEMBL5424364 0.76 MTNR1A (0.50) MTNR1AMTNR1BNPC1ALDH1A1GAA
SCHEMBL8437389 0.76 MTNR1A (0.50) MTNR1AMTNR1BNPC1ALDH1A1GAA
SCHEMBL490458 0.76 HSD17B10 (0.55) MTNR1AMTNR1BALDH1A1TSHR
SCHEMBL491098 0.76 POLB (0.54) NPC1ALDH1A1RAB9ATSHR
SCHEMBL4508144 0.75 CYP4F2 (0.49) MTNR1AMTNR1BNPC1ALDH1A1GAA
SCHEMBL11893016 0.75 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1HPGD

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 2 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