SCHEMBL174416

SCHEMBL174416

CC1(OC(=O)/C=C\C(=O)OC2(C)CNCCc3ccccc32)CNCCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.40
HTR2C P28335 4/20 0.38
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR2B P41595 1/20 0.33
PNMT P11086 1/20 0.33
CD44 P16070 1/20 0.33
MAOB P27338 1/20 0.33
DRD1 P21728 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL175131 1.00 HTR2A (0.40) HTR2AHTR2CLMNABLMMEN1
SCHEMBL174815 0.84 HTR2A (0.40) HTR2AHTR2CMEN1KMT2ADRD2
SCHEMBL174234 0.83 HTR2A (0.57) HTR2AHTR2CSLC6A2SLC6A4HTR2B
SCHEMBL168506 0.83 HTR2A (0.57) HTR2AHTR2CSLC6A2SLC6A4HTR2B
SCHEMBL173574 0.83 HTR2A (0.39) HTR2AHTR2CLMNAMEN1KMT2A
SCHEMBL173679 0.82 HTR2A (0.38) HTR2AHTR2CLMNAMEN1KMT2A
SCHEMBL12804000 0.79 HTR2A (0.49) HTR2AHTR2CLMNAMEN1KMT2A
SCHEMBL8147695 0.79 HTR2A (0.38) HTR2AHTR2CLMNABLMDRD2
SCHEMBL174886 0.77 HTR2A (0.41) HTR2AHTR2CMEN1KMT2ADRD2
SCHEMBL174877 0.75 CYP1A2 (0.42) HTR2AHTR2CLMNAMEN1KMT2A

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-2611449-A1 ADMINISTRATION OF LORCASERIN TO INDIVIDUALS WITH RENAL IMPAIRMENT Arena Pharmaceuticals, Inc. (US) 2013-07-10 EP disclosed
WO-2012030939-A1 ADMINISTRATION OF LORCASERIN TO INDIVIDUALS WITH RENAL IMPAIRMENT ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed