SCHEMBL7793217

SCHEMBL7793217

OCCCC[N]c1ccc(Cl)c(Cl)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
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
PMM2 O15305 1/20 0.33
MPI P34949 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7647727 0.80 KMT2A (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7794049 0.79 HTR3A (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7648045 0.75 KMT2A (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7790019 0.75 HTR3E (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7790485 0.69 ITGB3 (0.41) MAPK1ITGB3ITGAVKMT2AHSD17B10
SCHEMBL7789998 0.69 IDO1 (0.35) MAPK1TAAR1TP53IDO1SIGMAR1
SCHEMBL10503151 0.68 MIF (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9026682 0.67 IGF1R (0.67) KMT2ATAAR1MAPTIGF1RALOX15
SCHEMBL7648246 0.65 MAPK1 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7008253 0.65 IGF1R (0.65) KMT2ATAAR1MAPTIGF1RALOX15

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