SCHEMBL6201535

SCHEMBL6201535

Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Br)cc2)cc(N2CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.55
HTR2C P28335 14/20 0.54
CNR1 P21554 2/20 0.47
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR2 P34972 1/20 0.43

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
SCHEMBL6199536 0.93 HTR2A (0.54) HTR2AHTR2CNPSR1KMT2A
SCHEMBL6198115 0.90 HTR2A (0.57) HTR2AHTR2CCNR1NPC1GAA
SCHEMBL6194256 0.83 RAB9A (0.49) HTR2ANPC1MAPTPKMRAB9A
SCHEMBL6222801 0.83 HTR2A (0.54) HTR2AHTR2CNPC1MAPTRAB9A
SCHEMBL6201230 0.82 HTR2A (0.61) HTR2AHTR2C
SCHEMBL6198102 0.81 CNR1 (0.45) HTR2AHTR2CCNR1NPC1MAPT
SCHEMBL6200652 0.80 HTR2A (0.66) HTR2AHTR2C
SCHEMBL6199168 0.80 HTR2A (0.58) HTR2AHTR2C
SCHEMBL6199690 0.79 HTR2A (0.59) HTR2AHTR2C
SCHEMBL5946644 0.78 HTR2A (0.50) HTR2AHTR2CCNR1CNR2

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