SCHEMBL6163627

SCHEMBL6163627

CC(C)c1nn(CCO)c2c1C(=O)CC(C(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
DHODH Q02127 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
SCHEMBL6164302 0.85 HTT (0.57) HTTDHODH
SCHEMBL6164263 0.85 HTT (0.41) HTT
SCHEMBL6166017 0.83 HTT (0.39) HTT
SCHEMBL6164044 0.82 HTT (0.39) HTT
SCHEMBL6166859 0.82 HTT (0.39) HTT
SCHEMBL6164449 0.81 HTT (0.38) HTT
SCHEMBL6166482 0.80 DHODH (0.36) DHODH
SCHEMBL6164656 0.77 HTT (0.68) HTT
SCHEMBL6166110 0.77 HTT (0.34) HTT
SCHEMBL6164718 0.75 HTT (0.41) 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