SCHEMBL18686014

SCHEMBL18686014

CSc1cccc(-c2cccc3c2OCC[C@H]2CNCCN32)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.47
HTR2B P41595 16/20 0.47
HTR6 P50406 2/20 0.39
HTR2A P28223 7/20 0.39
LRRK2 Q5S007 1/20 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
SCHEMBL2013379 0.85 HTR2C (0.65) HTR2CHTR2BHTR6HTR2A
SCHEMBL2016843 0.82 HTR2C (0.46) HTR2CHTR2BHTR6HTR2A
SCHEMBL2015345 0.82 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL2020073 0.80 HTR2C (0.52) HTR2CHTR2BHTR2A
SCHEMBL2017961 0.79 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL2016564 0.78 HTR2C (0.47) HTR2CHTR2BHTR2A
SCHEMBL2017888 0.78 HTR2C (0.47) HTR2CHTR2BHTR2A
SCHEMBL2578585 0.78 HTR2C (0.47) HTR2CHTR2BHTR2A
SCHEMBL2020850 0.78 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL2015968 0.77 HTR2C (0.62) 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 1 patent. 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 disclosed