SCHEMBL7793294

SCHEMBL7793294

Clc1cccc([N]C2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
SLC22A3 O75751 1/20 0.44
PLAU P00749 1/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP2D6 P10635 3/20 0.40
EPHX2 P34913 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.40
THPO P40225 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PDE7A Q13946 1/20 0.39
MAPT P10636 3/20 0.39

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
SCHEMBL7794544 0.84 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7793284 0.78 L3MBTL3 (0.37) MEN1KMT2AL3MBTL1POLB
SCHEMBL7794524 0.78 KDM4E (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3146112 0.74 ALDH1A1 (0.39) MEN1KMT2ATSHR
SCHEMBL7784544 0.73 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7793244 0.73 MEN1 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL723225 0.73 ALDH1A1 (0.39) KMT2ATSHRMAPTMPI
SCHEMBL10423176 0.70 EPHX2 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3181009 0.69 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30102029 0.69 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C

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-1150963-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2001-11-07 EP disclosed
WO-2000046214-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-10 WO disclosed