SCHEMBL5492653

SCHEMBL5492653

CNCC(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.47
ADRA2B P18089 5/20 0.47
ADRA2C P18825 5/20 0.47
ADRB1 P08588 3/20 0.47
ADRB3 P13945 3/20 0.47
HIF1A Q16665 5/20 0.47
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
ADRB2 P07550 3/20 0.47
ADRA1A P35348 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.47
DRD1 P21728 2/20 0.47
ADRA1B P35368 2/20 0.47
DRD3 P35462 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL22728190 0.81 KDM4E (0.61) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL5222475 0.79 TAAR1 (0.46) ALDH1A1MAPTKMT2ATAAR1SLC6A2
SCHEMBL5610427 0.79 PDE2A (0.51) MAPTLMNAPNMT
SCHEMBL2394599 0.79 PDE2A (0.51) MAPTLMNAPNMT
SCHEMBL25920947 0.78 PNMT (0.47) PNMT
SCHEMBL6484095 0.76 PNMT (0.46) TSHRCYP3A4PNMT
SCHEMBL459815 0.76 PNMT (0.46) TSHRCYP3A4PNMT
SCHEMBL264592 0.76 PNMT (0.46) TSHRCYP3A4PNMT
SCHEMBL6145485 0.76 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL9903281 0.76 PNMT (0.42) PNMTSLC6A4

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
EP-1513814-A4 NOVEL PIPERIDINE COMPOUND TANABE SEIYAKU CO (JP) 2007-03-14 EP disclosed
EP-1513814-A1 NOVEL PIPERIDINE COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-03-16 EP disclosed
WO-2003099787-A1 NOVEL PIPERIDINE COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2003-12-04 WO disclosed