SCHEMBL6200786

SCHEMBL6200786

CN(C)c1ccc(NC(=O)Nc2cccc(-c3c(Br)cnn3C)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.77
HTR2C P28335 13/20 0.67
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
KMT2A Q03164 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NOX1 Q9Y5S8 1/20 0.52
CNR1 P21554 1/20 0.52
BAZ1A Q9NRL2 1/20 0.48

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
SCHEMBL6199738 0.87 HTR2A (0.64) HTR2AHTR2CNPC1RAB9AMEN1
SCHEMBL6201624 0.87 HTR2A (1.00) HTR2AHTR2CCNR1
SCHEMBL6200496 0.85 HTR2A (0.77) HTR2AHTR2CMEN1TP53MAPT
SCHEMBL6198959 0.85 HTR2A (0.77) HTR2AHTR2CNPC1RAB9ALMNA
SCHEMBL6199703 0.83 HTR2A (0.78) HTR2AHTR2C
SCHEMBL6199168 0.83 HTR2A (0.58) HTR2AHTR2C
SCHEMBL15248625 0.83 HTR2A (0.76) HTR2AHTR2C
SCHEMBL6197166 0.83 HTR2A (0.59) HTR2AHTR2CNPC1RAB9A
SCHEMBL6200743 0.82 HTR2A (0.72) HTR2AHTR2C
SCHEMBL6670281 0.81 HTR2A (0.71) HTR2AHTR2CNPC1RAB9AMEN1

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