SCHEMBL4039637

SCHEMBL4039637

CN(CCOc1ccc(NC(=O)c2cccc(F)c2)cc1-c1c(Cl)cnn1C)C1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.67
HTR2C P28335 9/20 0.67
KCNH2 Q12809 1/20 0.48
AKT1 P31749 1/20 0.45

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
SCHEMBL4566174 0.92 HTR2A (0.70) HTR2AHTR2CKCNH2AKT1
SCHEMBL4374955 0.91 HTR2A (0.72) HTR2AHTR2CKCNH2
SCHEMBL883911 0.88 HTR2A (0.68) HTR2AHTR2CKCNH2AKT1
SCHEMBL884099 0.84 HTR2A (0.80) HTR2AHTR2CKCNH2
SCHEMBL886774 0.82 HTR2A (0.71) HTR2AHTR2CKCNH2
SCHEMBL2064098 0.81 HTR2A (0.70) HTR2AHTR2CKCNH2
SCHEMBL884074 0.81 HTR2A (0.74) HTR2AHTR2CKCNH2AKT1
SCHEMBL2065049 0.81 HTR2A (0.76) HTR2AHTR2CKCNH2
SCHEMBL5244217 0.80 HTR2A (0.73) HTR2AHTR2CKCNH2AKT1
SCHEMBL1165680 0.80 HTR2A (1.00) HTR2AHTR2CKCNH2

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-2027119-A2 ETHERS, SECONDARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-02-25 EP disclosed
WO-2007136680-A2 3-PYRAZ0LYL-BENZAMIDE-4-ETHERS, SECONDARY AMINES AND DERIVATIVES THEREOF 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