SCHEMBL9044240

SCHEMBL9044240

CCN(C)N(c1ccccc1)c1nc(C)cc(C2CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
CRHR1 P34998 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NTSR1 P30989 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
TACR1 P25103 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL9044597 0.88 HCRTR1 (0.35) HCRTR1HCRTR2KDM4EALDH1A1HTT
SCHEMBL9043406 0.87 POLB (0.35) HCRTR1HCRTR2KDM4EALDH1A1HTT
SCHEMBL9046054 0.86 ALDH1A1 (0.32) HCRTR1HCRTR2ALDH1A1HTTHPGD
SCHEMBL27311061 0.77 POLB (0.35) HCRTR1HCRTR2KDM4EALDH1A1HTT
SCHEMBL9043112 0.77 ADORA2A (0.37) KDM4EALDH1A1HTTHPGDADORA2A
SCHEMBL8987728 0.77 POLB (0.38) HCRTR1HCRTR2KDM4EALDH1A1HTT
SCHEMBL9045189 0.75 ALDH1A1 (0.33) HCRTR1HCRTR2ALDH1A1HTTHPGD
SCHEMBL9043151 0.75 HTT (0.34) KDM4EALDH1A1HTTHPGDADORA2A
SCHEMBL8346329 0.74 MAPT (0.34) HCRTR1HCRTR2KDM4EALDH1A1HTT
SCHEMBL9043647 0.73 MAPT (0.32) HCRTR1HCRTR2ALDH1A1HTTHPGD

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-0358609-B1 Parasiticide compounds CIBA GEIGY AG (CH) 1996-07-24 EP claimed
US-5175293-A Substituted 2-aminopyrimidine derivatives CIBA-GEIGY CORPORATION (US) 1992-12-29 US disclosed