SCHEMBL6181036

SCHEMBL6181036

COc1ccc(N2CCC(c3cccc(C(F)(F)F)c3)C2=O)cc1OCCN1CCCCC1.COc1ccc(N2CCC(c3cccc(Cl)c3)C2=O)cc1OCCN1CCCCC1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.86
HTR2A P28223 9/20 0.69
HTR2B P41595 7/20 0.69

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
SCHEMBL4027789 0.95 HTR2C (0.79) HTR2CHTR2AHTR2B
SCHEMBL4026273 0.93 HTR2C (1.00) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL4196311 0.92 HTR2C (0.98) HTR2CHTR2AHTR2B
SCHEMBL4025779 0.84 HTR2C (1.00) HTR2CHTR2AHTR2B
SCHEMBL4028719 0.83 HTR2C (0.83) HTR2CHTR2AHTR2B
SCHEMBL4023462 0.82 HTR2C (1.00) HTR2CHTR2AHTR2B
SCHEMBL4029019 0.81 HTR2C (0.58) HTR2CHTR2AHTR2B
SCHEMBL4023602 0.81 HTR2C (0.98) HTR2CHTR2AHTR2B
SCHEMBL4622533 0.81 HTR2C (1.00) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL6092573 0.80 HTR2C (0.98) 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-1497265-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2005-01-19 EP claimed
WO-2003089409-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-10-30 WO claimed