SCHEMBL6164973

SCHEMBL6164973

Cc1nn(C)c2c1C(=O)CC(C(C)C)C2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
HTT P42858 1/20 0.34
BRD4 O60885 1/20 0.30
BUB1 O43683 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
SCHEMBL6166482 0.83 DHODH (0.36) DHODH
SCHEMBL6164302 0.80 HTT (0.57) DHODHHTT
SCHEMBL6164331 0.79 DHODH (0.34) DHODH
SCHEMBL6166292 0.78 HTT (0.36) HTTBUB1
SCHEMBL6167296 0.76 HIF1A (0.47) DHODHBRD4
SCHEMBL6771481 0.74 OPRM1 (0.43) DHODHBUB1
SCHEMBL6770476 0.74 OPRM1 (0.45) DHODH
SCHEMBL6167189 0.73 DHODH (0.31) DHODH
SCHEMBL6769819 0.71 OPRM1 (0.43) DHODH
SCHEMBL6770505 0.70 OPRM1 (0.46) DHODHHTT

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