SCHEMBL7793244

SCHEMBL7793244

CC1(C)CC([N]c2cccc(Cl)c2)CC(C)(C)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
SLC22A3 O75751 1/20 0.38
PLAU P00749 1/20 0.38
CHRNA1 P02708 3/20 0.36
CHRNG P07510 3/20 0.36
CHRNB1 P11230 3/20 0.36
CHRNB2 P17787 3/20 0.36
SLC6A2 P23975 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36
SLC6A3 Q01959 3/20 0.36

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
SCHEMBL7793294 0.73 HTR3E (0.44) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL7794544 0.69 HTR3E (0.44) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL7793247 0.69 KMT2A (0.59) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL11053578 0.64 GAA (0.70) MEN1KMT2ATSHR
SCHEMBL22453503 0.64 PNMT (0.42) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL1374335 0.63
SCHEMBL16749058 0.63 KDM1A (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3181009 0.62 HTR3E (0.58) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL30102029 0.62 HTR3E (0.58) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL7870699 0.62 HTR3E (0.58) MEN1KMT2AHTR3EHTR3BHTR3A

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