SCHEMBL8600561

SCHEMBL8600561

Cc1ccc(N2CCN(CCCc3ccc4n3CCCC4)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HRH1 P35367 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
KCNH2 Q12809 3/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL7967634 0.88 HTR1A (0.51) HRH1L3MBTL3L3MBTL1SIGMAR1DRD2
SCHEMBL8599796 0.88 SIGMAR1 (0.56) HRH1SIGMAR1KCNH2DRD2DRD4
SCHEMBL7949455 0.80 MAPK1 (0.46) MAPTNPSR1HRH1L3MBTL3L3MBTL1
SCHEMBL15961278 0.71 SIGMAR1 (0.79) MAPTNPSR1MEN1KMT2ASIGMAR1
SCHEMBL15961331 0.71 MAPT (0.83) MAPTNPSR1MEN1KMT2ASIGMAR1
SCHEMBL7961393 0.71 DRD4 (0.58) MAPTNPSR1HRH1L3MBTL3L3MBTL1
SCHEMBL7957403 0.70 MAPT (0.46) MAPTNPSR1HRH1L3MBTL3L3MBTL1
SCHEMBL7963946 0.70 MAPT (0.46) MAPTNPSR1HRH1L3MBTL3L3MBTL1
SCHEMBL13321082 0.70 KDM4E (0.71) MAPTNPSR1KDM4ESIGMAR1KCNH2
SCHEMBL10995656 0.70 MAPT (0.58) MAPTNPSR1HRH1ADRA1DADRA1A

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-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed