SCHEMBL8147695

SCHEMBL8147695

O=C(/C=C\C(=O)OC1(c2ccccc2)CNCCc2ccccc21)OC1(c2ccccc2)CNCCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.38
HDAC9 Q9UKV0 1/20 0.36
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
HTR2C P28335 2/20 0.34
KIF11 P52732 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
DRD2 P14416 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
AKR1B1 P15121 1/20 0.32
PNMT P11086 1/20 0.32
CD44 P16070 1/20 0.32
MAOB P27338 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 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
SCHEMBL10345845 0.84 GAA (0.40) HTR2ALMNAHTR2CMAOB
SCHEMBL175131 0.79 HTR2A (0.40) HTR2ALMNABLMHTR2CDRD2
SCHEMBL174416 0.79 HTR2A (0.40) HTR2ALMNABLMHTR2CDRD2
SCHEMBL10796154 0.78 HTR2A (0.44) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL28329527 0.72 HDAC9 (0.45) HDAC9KIF11MAOB
SCHEMBL10345420 0.70 HTR2A (0.47) HTR2AHDAC9HTR2CDRD2SLC6A2
Phosphoric Acid SCHEMBL10603775 0.68 HTR2A (0.42) HTR2AHDAC9HTR2CKIF11DRD2
Fumaric Acid SCHEMBL12504899 0.67 HTR2C (0.64) HDAC9LMNABLMHTR2CDRD2
Fumaric Acid SCHEMBL12504903 0.67 HTR2C (0.64) HDAC9LMNABLMHTR2CDRD2
Maleic Acid SCHEMBL29496807 0.67 HTR2C (0.64) HDAC9LMNABLMHTR2CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043980-A2 METHOD OF REDUCING CRAVING IN MAMMALS SCHERING CORPORATION (US) 2000-10-18 EP disclosed
WO-1999021540-A2 METHOD OF REDUCING CRAVING IN MAMMALS SCHERING CORPORATION (US) 1999-05-06 WO disclosed