SCHEMBL6164656

SCHEMBL6164656

CC(C)c1nn(CCO)c2c1C(=O)CCC2

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
CSNK2A1 P68400 3/20 0.33
PLK1 P53350 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
CSNK2B P67870 2/20 0.32
CSNK2A2 P19784 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
BUB1 O43683 1/20 0.31
OPRM1 P35372 1/20 0.30

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
SCHEMBL6165167 0.81 HTT (1.00) HTTCSNK2A1PLK1PLK3BUB1
SCHEMBL6166704 0.81 HTT (0.64) HTTCSNK2A1PLK1PLK3CSNK2B
SCHEMBL6166619 0.79 HTT (0.42) HTTCSNK2A1PLK1PLK3CSNK2B
SCHEMBL6164263 0.78 HTT (0.41) HTTCSNK2A1CSNK2BCSNK2A2ABCG2
SCHEMBL6164718 0.78 HTT (0.41) HTTBUB1OPRM1
SCHEMBL6165245 0.77 HTT (0.68) HTTCSNK2A1PLK1PLK3BUB1
SCHEMBL6163627 0.77 HTT (0.40) HTT
SCHEMBL6164099 0.76 HTT (0.66) HTTCSNK2A1PLK1PLK3BUB1
SCHEMBL6168258 0.75 HTT (0.65) HTTCSNK2A1PLK1PLK3BUB1
SCHEMBL6167101 0.75 HTT (0.56) HTT

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-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed