SCHEMBL4010098

SCHEMBL4010098

Cc1ccc2cccc(N3CCN(C(=O)OCC(C)C)CC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR1A P08908 3/20 0.43
KDM4E B2RXH2 4/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
P2RX4 Q99571 1/20 0.40

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
SCHEMBL6472002 0.85 HTR2A (0.48) MAPTALDH1A1GAASMN1; SMN2HTR1A
SCHEMBL6065302 0.83 CYP2C9 (0.51) MAPTALDH1A1GAASMN1; SMN2HTR1A
SCHEMBL3919075 0.82 HRH1 (0.42) MAPTALDH1A1GAASMN1; SMN2HTR1A
SCHEMBL4009513 0.81 GRM5 (0.47) MAPTALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL3720029 0.79 KDM4E (0.45) MAPTKDM4EPOLBLMNA
SCHEMBL3917828 0.79 MAPT (0.43) MAPTALDH1A1GAASMN1; SMN2HTR1A
SCHEMBL5698823 0.76 SMN1; SMN2 (0.41) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL4710630 0.75 MAPT (0.51) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3917775 0.74 SMN1; SMN2 (0.47) MAPTALDH1A1GAASMN1; SMN2HTR1A
SCHEMBL3916322 0.74 HRH1 (0.45) MAPTALDH1A1GAASMN1; SMN2HTR1A

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
WO-2009080675-A1 QUINOLINE DERIVATIVES WITH AFFINITY FOR THE 5-HT2B RECEPTOR GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed