SCHEMBL3864995

SCHEMBL3864995

OCCc1ccccc1N(CCO)CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PABPC1 P11940 1/20 0.46
PTPN1 P18031 2/20 0.45
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.33
HTR1A P08908 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
NSD2 O96028 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
GALK1 P51570 1/20 0.31
BLM P54132 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL4495007 0.89 PTPN1 (0.41) MEN1KMT2APABPC1PTPN1TDP1
SCHEMBL28431237 0.86 HTT (0.44) MEN1KMT2APABPC1PTPN1TDP1
SCHEMBL17374923 0.84 PTPN1 (0.48) MEN1KMT2APABPC1PTPN1TDP1
SCHEMBL11525971 0.82 MEN1 (0.42) MEN1KMT2APABPC1PTPN1TDP1
SCHEMBL8966732 0.82 PTPN1 (0.44) MEN1KMT2APABPC1PTPN1TDP1
SCHEMBL11701103 0.82 MEN1 (0.49) MEN1KMT2APABPC1PTPN1MAPT
SCHEMBL7125808 0.80 MEN1 (0.37) MEN1KMT2APABPC1PTPN1TDP1
SCHEMBL8998341 0.79 SMN1; SMN2 (0.47) MEN1KMT2APABPC1PTPN1MAPT
SCHEMBL8950915 0.77 AKR1B1 (0.50) MEN1KMT2APABPC1PTPN1TDP1
SCHEMBL11788588 0.77 MEN1 (0.45) MEN1KMT2APABPC1PTPN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915379-B1 OLANZAPINE ANALOGS AND METHODS OF USE THEREOF HYPNION INC (US) 2009-11-11 EP disclosed