SCHEMBL4080545

SCHEMBL4080545

O=[C]C(OCF)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
LMNA P02545 4/20 0.32
CYP2D6 P10635 3/20 0.32
SCN1A P35498 3/20 0.32
SCN2A Q99250 3/20 0.32
SCN3A Q9NY46 3/20 0.32
CYP1A2 P05177 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HRH1 P35367 2/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
ADRA2B P18089 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL7116849 0.82 HTR2A (0.33) HTR2ATAAR1LMNACYP2D6SCN1A
SCHEMBL4080312 0.80 CES2 (0.33) HTR2ATAAR1LMNACYP2D6SCN1A
SCHEMBL2673956 0.80 SLC6A2 (0.45) CYP2D6CYP1A2SMN1; SMN2TSHRSLC6A2
SCHEMBL4085556 0.80 HTR2A (0.32) HTR2ATAAR1LMNACYP2D6SCN1A
SCHEMBL8536881 0.80 L3MBTL1 (0.43) HTR2ALMNACYP2D6SCN1ASCN2A
SCHEMBL9165581 0.80 L3MBTL1 (0.43) HTR2ALMNACYP2D6SCN1ASCN2A
SCHEMBL9165582 0.80 L3MBTL1 (0.43) HTR2ALMNACYP2D6SCN1ASCN2A
SCHEMBL7868183 0.79 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3KCNH2SRC
SCHEMBL28938736 0.77 ALDH1A1 (0.39) HTR2ALMNACYP2D6SCN1ASCN2A
SCHEMBL4602744 0.77 NPSR1 (0.40) TAAR1CYP2D6CYP1A2SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US claimed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO claimed
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US disclosed
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US disclosed
WO-2007134127-A3 AGENTS FOR IMAGING APOPTOSIS UNIV TEXAS (US) 2008-01-17 WO disclosed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO disclosed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO disclosed