SCHEMBL3939449

SCHEMBL3939449

[CH](CN1CCCCC1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CHRM1 P11229 1/20 0.45
ADRA2B P18089 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
GMNN O75496 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL7400896 0.83 PLD1 (0.47) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL4156152 0.74 RAB9A (0.52) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL13467939 0.72 GPR4 (0.46) ALDH1A1CYP2D6TSHRCYP2C19
SCHEMBL2464389 0.72 RAB9A (0.54) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL2461427 0.72 CHRNB2 (0.55) KMT2ALMNAALDH1A1CHRM1KCNH2
SCHEMBL10264391 0.70 GPR4 (0.44) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL11034175 0.70 LTA4H (0.50) MEN1KMT2ALMNAALDH1A1CHRM1
SCHEMBL2461181 0.70 CHRNB2 (0.52) LMNAALDH1A1CHRM1ADRA2BSLC6A4
SCHEMBL3161186 0.69 CYP2C19 (0.65) KMT2ALMNAALDH1A1HRH1TSHR
SCHEMBL14385702 0.69 GAA (0.68) RAB9AMEN1KMT2ANPC1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN disclosed
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed