SCHEMBL6199858

SCHEMBL6199858

Cn1ncc(Br)c1-c1cccc(NN(C=O)c2ccccc2C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.46
HTR2C P28335 6/20 0.38
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
KLK7 P49862 1/20 0.30

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
SCHEMBL6199754 0.86 HTR2A (0.48) HTR2AHTR2C
SCHEMBL6201224 0.85 HTR2A (0.48) HTR2AHTR2C
SCHEMBL6198379 0.85 HTR2A (0.53) HTR2AHTR2CALDH1A1
SCHEMBL6195735 0.83 HTR2A (0.46) HTR2AHTR2C
SCHEMBL6199288 0.82 HTR2A (0.45) HTR2AHTR2CMEN1KMT2A
SCHEMBL2952928 0.81 L3MBTL1 (0.44) MEN1ALDH1A1KMT2AKLK7
SCHEMBL6196066 0.80 HTR2A (0.54) HTR2AHTR2C
SCHEMBL6198174 0.78 HTR2A (0.48) HTR2AHTR2CPRMT5WDR77
SCHEMBL6196599 0.78 HTR2A (0.48) HTR2AHTR2CKMT2A
SCHEMBL6199008 0.77 HTR2A (0.50) HTR2AHTR2CMEN1KMT2APRMT5

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-1509505-A2 SMALL MOLECULE MODULATORS OF THE 5−HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2005-03-02 EP claimed
WO-2003062206-A2 SMALL MOLECULE MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2003-07-31 WO claimed