SCHEMBL7794048

SCHEMBL7794048

CC1CN(c2ccc(Cl)cc2)CC(C)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
KMT2A Q03164 5/20 0.55
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.46
KCNH2 Q12809 1/20 0.44
LMNA P02545 3/20 0.44
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL18436831 0.82 MAPT (0.57) MAPTKMT2ARAB9APOLBKDM4E
SCHEMBL327800 0.82 MAPT (0.57) MAPTKMT2ARAB9APOLBKDM4E
SCHEMBL7790503 0.82 MAPT (0.57) MAPTKMT2ARAB9APOLBKDM4E
SCHEMBL24352865 0.82 MAPT (0.57) MAPTKMT2ARAB9APOLBKDM4E
SCHEMBL23731989 0.82 MAPT (0.57) MAPTKMT2ARAB9APOLBKDM4E
SCHEMBL19570980 0.81 HTR3E (0.47) KMT2ARAB9ASMN1; SMN2NPC1POLB
SCHEMBL24352441 0.81 MAPT (0.53) MAPTKMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL24352440 0.81 MAPT (0.53) MAPTKMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL276899 0.81 MAPT (0.53) MAPTKMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL18068289 0.81 MAPT (0.53) MAPTKMT2ARAB9ASMN1; SMN2NPC1

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