SCHEMBL6199536

SCHEMBL6199536

CN1CCN(c2cc(NC(=O)Nc3ccc(Br)cc3)cc(-c3c(Br)cnn3C)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.54
HTR2C P28335 15/20 0.53
JAK3 P52333 1/20 0.45
MEN1 O00255 1/20 0.44
APAF1 O14727 1/20 0.44
MAPK1 P28482 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6201535 0.93 HTR2A (0.55) HTR2AHTR2CKMT2ANPSR1
SCHEMBL6198115 0.83 HTR2A (0.57) HTR2AHTR2CNPSR1
SCHEMBL6222801 0.82 HTR2A (0.54) HTR2AHTR2CMEN1KMT2ASMN1; SMN2
SCHEMBL6201230 0.81 HTR2A (0.61) HTR2AHTR2C
SCHEMBL6200652 0.79 HTR2A (0.66) HTR2AHTR2C
SCHEMBL6199168 0.79 HTR2A (0.58) HTR2AHTR2C
SCHEMBL6199690 0.78 HTR2A (0.59) HTR2AHTR2C
SCHEMBL6199479 0.77 HTR2A (0.64) HTR2AHTR2C
SCHEMBL6194256 0.76 RAB9A (0.49) HTR2AMEN1KMT2ASMN1; SMN2
SCHEMBL6222572 0.76 HTR2A (0.56) HTR2AHTR2CMEN1KMT2ASMN1; SMN2

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