SCHEMBL14385262

SCHEMBL14385262

COc1ccc(NC(=O)CNCc2ccccn2)cc1-c1c(Cl)cnn1C

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.59
HTR2C P28335 13/20 0.59
KDM4E B2RXH2 1/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 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
SCHEMBL3946791 0.87 HTR2A (0.63) HTR2AHTR2C
SCHEMBL3945364 0.84 HTR2A (0.64) HTR2AHTR2C
SCHEMBL14384624 0.84 HTR2A (0.59) HTR2AHTR2C
SCHEMBL3953706 0.82 HTR2A (0.67) HTR2AHTR2C
SCHEMBL3953738 0.82 HTR2A (0.64) HTR2AHTR2C
SCHEMBL3947369 0.82 HTR2A (0.61) HTR2AHTR2C
SCHEMBL3954765 0.80 HTR2A (0.68) HTR2AHTR2C
SCHEMBL3954051 0.79 ALDH1A1 (0.63) HTR2AHTR2C
SCHEMBL29573278 0.77 HTR2A (0.70) HTR2AHTR2C
SCHEMBL5061771 0.77 HTR2A (0.70) HTR2AHTR2C

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
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed