SCHEMBL6164352

SCHEMBL6164352

CC(C)C1CC(=O)c2c(C3CC3)nn(C)c2C1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.34
OPRM1 P35372 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
SCHEMBL6166017 0.82 HTT (0.39)
SCHEMBL6164973 0.80 DHODH (0.36) DHODH
SCHEMBL6166081 0.80 BRD4 (0.34) OPRM1
SCHEMBL6166482 0.79 DHODH (0.36) DHODH
SCHEMBL6168419 0.79 DHODH (0.42) DHODHOPRM1
SCHEMBL6776388 0.77 OPRM1 (0.38) DHODHOPRM1
SCHEMBL6769850 0.77 OPRM1 (0.38) DHODHOPRM1
SCHEMBL6164331 0.75 DHODH (0.34) DHODH
SCHEMBL6168332 0.74 ALDH1A1 (0.47) DHODHOPRM1
SCHEMBL6770751 0.74 OPRM1 (0.45) DHODHOPRM1

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