SCHEMBL6199293

SCHEMBL6199293

Cn1ncc(Br)c1-c1cccc(Nc2ccc(C([NH])=O)c([N+](=O)[O-])c2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.52
PKM P14618 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTR2C P28335 7/20 0.38
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL6199759 0.85 HTR2A (0.57) HTR2AHTR2CRAB9ANPC1SMN1; SMN2
SCHEMBL6201228 0.84 HTR2A (0.56) HTR2AHTR2C
SCHEMBL6198383 0.84 HTR2A (0.61) HTR2AHTR2CMAPT
SCHEMBL6199862 0.82 HTR2A (0.53) HTR2AHTR2CEGFR
SCHEMBL2953422 0.82 L3MBTL1 (0.49) HTR2AMEN1KMT2ARAB9AMAPT
SCHEMBL5947079 0.80 HTR2A (0.53) HTR2AKMT2ASMN1; SMN2LMNAPOLB
SCHEMBL5946836 0.80 HTR2A (0.50) HTR2APKMMEN1KMT2ARAB9A
SCHEMBL6196071 0.79 HTR2A (0.62) HTR2AHTR2C
SCHEMBL5946733 0.75 HTR2A (0.59) HTR2AMEN1KMT2AHTR2CRAB9A
SCHEMBL5946818 0.75 HTR2A (0.58) HTR2AMEN1KMT2AHTR2CRAB9A

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