SCHEMBL6166825

SCHEMBL6166825

Cn1nc(C2CC2)c2c1CC(C)(C)CC2=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.54
ALPL P05186 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
HTT P42858 2/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
OPRK1 P41145 2/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL6164113 0.81 OPRM1 (0.49) OPRM1ALPLCRHBPCRHR2HTT
SCHEMBL6162637 0.77 OPRM1 (0.63) OPRM1HTTKMT2AHSD17B10LMNA
SCHEMBL6166168 0.77 OPRM1 (0.55) OPRM1HTTKMT2AHSD17B10OPRK1
SCHEMBL6165826 0.74 HTT (0.41) OPRM1HTTLMNA
SCHEMBL6770500 0.74 OPRM1 (0.61) OPRM1OPRK1OPRD1
SCHEMBL6166935 0.73 OPRM1 (0.39) OPRM1ALPLCRHBPCRHR2HTT
SCHEMBL6767529 0.73 OPRM1 (0.72) OPRM1KMT2ALMNAOPRK1OPRD1
SCHEMBL6165838 0.72 OPRM1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL15730601 0.72 OPRM1 (0.54) OPRM1ALPLCRHBPCRHR2HTT
SCHEMBL6162505 0.71 ALPL (0.67) OPRM1ALPLCRHBPCRHR2HTT

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