SCHEMBL4768514

SCHEMBL4768514

Cn1ncc(Br)c1-c1cc([N+](=O)[O-])cnc1OCCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.49
HTR2C P28335 9/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CB P42338 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38

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
SCHEMBL4791655 0.83 HTR2A (0.48) HTR2AHTR2CSMN1; SMN2KMT2AMAPT
SCHEMBL4724070 0.83 HTR2A (0.51) HTR2AHTR2CMAPTPOLBPRKAB2
SCHEMBL14397720 0.79 KMT2A (0.54) SMN1; SMN2KMT2AMAPTKDM4ENPC1
SCHEMBL4661846 0.79 HTR2A (0.39) HTR2AHTR2C
SCHEMBL29495264 0.77 ALDH1A1 (0.52) SMN1; SMN2KMT2AMAPTKDM4ENPC1
SCHEMBL28722474 0.77 ALDH1A1 (0.52) SMN1; SMN2KMT2AMAPTKDM4ENPC1
SCHEMBL4659282 0.77 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMAPTKDM4ENPC1
SCHEMBL4724168 0.73 HTR2A (0.61) HTR2AHTR2CSMN1; SMN2MAPT
SCHEMBL1166761 0.72 HTR2A (0.64) HTR2AHTR2CMAPTKDM4EALDH1A1
SCHEMBL4660601 0.72 HTR2A (0.39) HTR2AHTR2CKMT2AMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004627-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120600-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed
WO-2007120600-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed