SCHEMBL3669718

SCHEMBL3669718

CCC(O)c1cccc(NC)c1-c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
SLC6A2 P23975 10/20 0.38
SLC6A4 P31645 10/20 0.38
SLC6A3 Q01959 10/20 0.38
KCNH2 Q12809 9/20 0.38
CYP2D6 P10635 8/20 0.38
CYP3A4 P08684 6/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
AR P10275 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL1896065 0.81 FABP3 (0.38) FABP3FABP4FABP5SLC6A2SLC6A4
SCHEMBL6237984 0.76 LMNA (0.47) CYP2D6TSHRKMT2AHIF1AEGFR
SCHEMBL15939773 0.76 LMNA (0.47) CYP2D6TSHRKMT2AHIF1AEGFR
SCHEMBL3665020 0.72 FABP3 (0.38) FABP3FABP4FABP5SLC6A2SLC6A4
SCHEMBL3671725 0.71 AR (0.37) FABP3FABP4FABP5SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3664999 0.70 AR (0.36) FABP3FABP4FABP5SLC6A2SLC6A4
SCHEMBL11261519 0.70 LMNA (0.52) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL22288132 0.68 LMNA (0.42) CYP2D6MEN1CYP1A2TSHRKMT2A
SCHEMBL5107136 0.66 LMNA (0.61) CYP2D6TSHRHIF1AL3MBTL1
SCHEMBL30172716 0.66 LMNA (0.61) CYP2D6TSHRHIF1AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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