SCHEMBL5675724

SCHEMBL5675724

COc1ccc(N2Cc3cc(F)cc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1.COc1ccc(N2Cc3ccc(Cl)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.86
HTR2A P28223 15/20 0.86
HTR2B P41595 15/20 0.86

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
SCHEMBL5474111 0.93 HTR2C (1.00) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL5471590 0.92 HTR2C (0.98) HTR2CHTR2AHTR2B
SCHEMBL5462891 0.89 HTR2C (1.00) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL5462909 0.89 HTR2C (0.98) HTR2CHTR2AHTR2B
SCHEMBL5463048 0.84 HTR2C (0.86) HTR2CHTR2AHTR2B
SCHEMBL5476560 0.84 HTR2C (1.00) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL5467281 0.83 HTR2C (0.98) HTR2CHTR2AHTR2B
SCHEMBL14430295 0.82 HTR2C (1.00) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL5468510 0.81 HTR2C (0.98) HTR2CHTR2AHTR2B
SCHEMBL5464326 0.81 HTR2C (1.00) 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-1611098-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2006-01-04 EP claimed
WO-2004089897-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2004-10-21 WO claimed