SCHEMBL8553314

SCHEMBL8553314

NCC/C=C/CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.58
LOXL2 Q9Y4K0 2/20 0.58
CYP2A6 P11509 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
MAOA P21397 2/20 0.52
GPR52 Q9Y2T5 7/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAOB P27338 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8556069 1.00 HTR2A (0.58) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL7114530 1.00 HTR2A (0.58) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL7762166 0.88 GPR52 (0.57) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL7762164 0.88 GPR52 (0.57) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL9715286 0.88 GPR52 (0.57) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL11509823 0.84 HTR2A (0.50) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL11509821 0.84 HTR2A (0.50) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL5956337 0.82 MAOB (0.68) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL18595441 0.79 MAOB (0.71) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL433496 0.79 MAOB (0.71) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1

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
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN disclosed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed