SCHEMBL1896069

SCHEMBL1896069

CNc1cccc(CCCOC(C)=O)c1-c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.38
MTNR1B P49286 11/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.37
TNKS2 Q9H2K2 1/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
SLC16A3 O15427 1/20 0.36

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
SCHEMBL3665020 0.82 FABP3 (0.38) MTNR1AMTNR1BFABP3FABP4FABP5
SCHEMBL3671725 0.77 AR (0.37) MTNR1AMTNR1BFABP3FABP4FABP5
Hydrochloric Acid SCHEMBL3664999 0.76 AR (0.36) MTNR1AMTNR1BFABP3FABP4FABP5
SCHEMBL12787414 0.71 CYP1A2 (0.58) TNKS2
SCHEMBL1896065 0.71 FABP3 (0.38) MTNR1AFABP3FABP4FABP5SIRT2
SCHEMBL14445681 0.67 HDAC1 (0.56)
SCHEMBL3669718 0.66 FABP3 (0.38) FABP3FABP4FABP5SIRT2
SCHEMBL21422363 0.65 KDM4E (0.61) MTNR1AMTNR1B
SCHEMBL6632237 0.65 RAD52 (0.46) SIRT2TNKS2
SCHEMBL2312987 0.65 TAAR1 (0.43) SIRT2TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011056788-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-05-12 WO claimed
WO-2011056773-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-05-12 WO claimed
EP-2234960-A2 INHIBITING NEUROTRANSMITTER REUPTAKE Mayo Foundation for Medical Education and Research (US) 2010-10-06 EP claimed
WO-2009089479-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2009-07-16 WO claimed
WO-2011056788-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-05-12 WO disclosed
WO-2011056773-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-05-12 WO disclosed
EP-2234960-A2 INHIBITING NEUROTRANSMITTER REUPTAKE Mayo Foundation for Medical Education and Research (US) 2010-10-06 EP disclosed
WO-2009089479-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2009-07-16 WO disclosed