SCHEMBL2598045

SCHEMBL2598045

Clc1cccc2c1NCCC1CNC[C@H]21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.41
HTR2A P28223 3/20 0.40
HTR2B P41595 3/20 0.40
F12 P00748 8/20 0.37
MAPT P10636 1/20 0.36
SLC6A3 Q01959 4/20 0.34
HTR1A P08908 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL1804819 1.00 HTR2C (0.41) HTR2CHTR2AHTR2BF12MAPT
SCHEMBL1804818 1.00 HTR2C (0.41) HTR2CHTR2AHTR2BF12MAPT
SCHEMBL1804816 1.00 HTR2C (0.41) HTR2CHTR2AHTR2BF12MAPT
SCHEMBL1806193 0.75 HTR2C (0.36) HTR2CHTR2ASLC6A3HTR1ASLC6A2
SCHEMBL1806196 0.75 HTR2C (0.36) HTR2CHTR2ASLC6A3HTR1ASLC6A2
SCHEMBL1806195 0.75 HTR2C (0.36) HTR2CHTR2ASLC6A3HTR1ASLC6A2
SCHEMBL1804490 0.74 CHRNB4 (0.37) HTR2CHTR2AHTR2BF12
SCHEMBL1804494 0.74 CHRNB4 (0.37) HTR2CHTR2AHTR2BF12
SCHEMBL1804493 0.74 CHRNB4 (0.37) HTR2CHTR2AHTR2BF12
SCHEMBL1803852 0.73 ALOX5 (0.36) SLC6A3SLC6A2SLC6A4

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-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP claimed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO claimed