SCHEMBL6529308

SCHEMBL6529308

COc1ccc2ccccc2c1C1COC(CCCN)OC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.46
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MAPT P10636 1/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
KLK1 P06870 1/20 0.38
PRSS1 P07477 1/20 0.38
HTR1B P28222 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.35
HTR1A P08908 2/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL9352742 0.76 SLC6A4 (0.43) SLC6A4MTNR1AHTR1BKDM1A
SCHEMBL6790827 0.75 SLC6A4 (0.48) SLC6A4KMT2AMEN1
Hydrochloric Acid SCHEMBL9482107 0.75 SLC6A4 (0.42) SLC6A4MTNR1AHTR1BKDM1A
SCHEMBL7094962 0.73 MAPT (0.56) SLC6A4MTNR1AMTNR1BMAPTF2
Ammonia Solution, Strong SCHEMBL27509223 0.72 MAPT (0.55) SLC6A4MTNR1AMTNR1BMAPTF2
SCHEMBL7010711 0.71 MTNR1A (0.51) SLC6A4MTNR1AMTNR1BMAPTF2
SCHEMBL27997503 0.70 F2 (0.64) SLC6A4MTNR1AMTNR1BMAPTF2
SCHEMBL2702986 0.70 SLC6A4 (0.67) SLC6A4MTNR1AMTNR1B
SCHEMBL649532 0.70 ACACB (0.54) MTNR1A
SCHEMBL649531 0.70 ACACB (0.54) MTNR1A

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
EP-1537096-A2 DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2005-06-08 EP disclosed
WO-2004020430-A2 DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-03-11 WO disclosed