SCHEMBL2582057

SCHEMBL2582057

CC(O)c1cccc(-c2ccc3c(c2)N2CCNCC2CCO3)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.40
HTR2B P41595 16/20 0.40
HTR2A P28223 4/20 0.40
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL2019941 1.00 HTR2C (0.40) HTR2CHTR2BHTR2AHRH3
SCHEMBL2017751 0.92 HTR2C (0.40) HTR2CHTR2BHTR2AHRH3
SCHEMBL2016192 0.84 HTR2C (0.43) HTR2CHTR2BHTR2A
SCHEMBL2575116 0.84 HTR2C (0.43) HTR2CHTR2BHTR2A
SCHEMBL2562895 0.84 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL2016529 0.84 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL2013664 0.84 HTR2C (0.49) HTR2CHTR2BHTR2AHRH3
SCHEMBL2576587 0.84 HTR2C (0.49) HTR2CHTR2BHTR2AHRH3
SCHEMBL2015345 0.83 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL2014311 0.82 HTR2C (0.39) HTR2CHTR2BHTR2A

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-2560973-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbvie Inc. (US) 2013-02-27 EP claimed
WO-2011133182-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-10-27 WO claimed