SCHEMBL13356231

SCHEMBL13356231

Cc1ccc2c(c1)[C@@H]1CNC[C@@H]1N2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.51
HTR2A P28223 17/20 0.51
HTR2B P41595 17/20 0.51
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46

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
SCHEMBL11834071 0.85 HTR2C (0.42) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL29400162 0.85 HTR2C (0.42) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL10154861 0.83 HTR2C (0.40) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL10154858 0.83 HTR2C (0.40) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL14300108 0.83 HTR2C (0.40) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL18560193 0.80 CHRNB2 (0.42) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL12882685 0.79 HTR2C (0.47) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL18560180 0.79 KIF11 (0.40) HTR2CCHRNB2CHRNA4
SCHEMBL18560189 0.79 KIF11 (0.40) HTR2CCHRNB2CHRNA4
SCHEMBL12882862 0.76 HTR2A (0.45) HTR2CHTR2AHTR2B

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-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 EP disclosed
WO-2008060190-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-05-22 WO disclosed