SCHEMBL692739

SCHEMBL692739

[c]1ccc(-c2ccc3c(c2)OCC[C@H]2CNCCN32)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.42
HTR2B P41595 16/20 0.42
HTR2A P28223 5/20 0.38

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
SCHEMBL2576881 0.91 HTR2C (0.40) HTR2CHTR2BHTR2A
SCHEMBL693012 0.88 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL3624384 0.87 HTR2C (0.54) HTR2CHTR2BHTR2A
SCHEMBL692999 0.87 HTR2C (0.43) HTR2CHTR2BHTR2A
SCHEMBL3627013 0.87 HTR2C (0.44) HTR2CHTR2BHTR2A
SCHEMBL3629595 0.86 HTR2C (0.47) HTR2CHTR2BHTR2A
SCHEMBL3627752 0.84 HTR2C (0.57) HTR2CHTR2BHTR2A
SCHEMBL2016120 0.82 HTR2C (0.42) HTR2CHTR2BHTR2A
SCHEMBL2017858 0.82 HTR2C (0.39) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP claimed
EP-2421870-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-03-09 EP claimed
EP-2522671-B1 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC (US) 2016-01-20 EP claimed
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP disclosed
EP-2522671-B1 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC (US) 2016-01-20 EP disclosed
EP-2522671-A2 Modulators of 5-HT receptors and methods of use thereof Abbott Laboratories (US) 2012-11-14 EP disclosed
EP-2421870-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed