SCHEMBL12677286

SCHEMBL12677286

Bc1cc2c(cc1OCC=C)CC(C)NCC2C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HTR2A P28223 9/20 0.33
HTR2C P28335 9/20 0.33
HTR2B P41595 9/20 0.33
HTR7 P34969 4/20 0.32
DRD2 P14416 3/20 0.32
HTR1A P08908 3/20 0.32
DRD1 P21728 1/20 0.32
ADRA2A P08913 3/20 0.31
ADRA2B P18089 3/20 0.31
ADRA2C P18825 3/20 0.31
HTR6 P50406 3/20 0.31
ADRB2 P07550 2/20 0.31
CHRM5 P08912 2/20 0.31
DRD4 P21917 2/20 0.31
HRH2 P25021 2/20 0.31
SLC6A4 P31645 2/20 0.31

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
SCHEMBL1094880 0.85 HTR2C (0.48) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL13679042 0.81 HTR2C (0.52) HTR2AHTR2CHTR2B
SCHEMBL13672965 0.80 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL13679034 0.71 HTR2C (0.53) HTR2AHTR2CHTR2BHTR7DRD2
SCHEMBL1095198 0.67 HTR2C (0.63) HTR2AHTR2CHTR2B
SCHEMBL1095335 0.67 HTR2C (0.73) HTR2AHTR2CHTR2B
SCHEMBL1095337 0.67 HTR2C (0.73) HTR2AHTR2CHTR2B
SCHEMBL1095359 0.67 HTR2C (0.66) HTR2AHTR2CHTR2BADRA2AADRA2B
SCHEMBL1096662 0.67 HTR2A (0.66) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL1096664 0.67 HTR2A (0.66) HTR2AHTR2CHTR2BHTR1AADRA2A

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-2322162-A1 5HT2C receptor modulator compositions and methods of use Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed
EP-2111859-A1 5HT2C receptor modulator compositions and methods of use Arena Pharmaceuticals, Inc. (US) 2009-10-28 EP disclosed
EP-1833473-B1 5HT2C RECEPTOR MODULATOR COMPOSITIONS AND METHODS OF USE ARENA PHARM INC (US) 2009-09-09 EP disclosed