SCHEMBL6770401

SCHEMBL6770401

Cc1nn(-c2ccc(C(C)C)cc2)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.77
OPRK1 P41145 4/20 0.57
OPRD1 P41143 3/20 0.57
HSP90AB1 P08238 1/20 0.55
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL6767006 0.87 OPRM1 (0.58) OPRM1OPRK1OPRD1HSP90AB1
SCHEMBL6770719 0.84 OPRM1 (0.76) OPRM1OPRK1OPRD1HSP90AB1
SCHEMBL6770500 0.84 OPRM1 (0.61) OPRM1OPRK1OPRD1HSP90AB1
SCHEMBL6166305 0.84 OPRM1 (0.76) OPRM1OPRK1OPRD1ALDH1A1LMNA
SCHEMBL7479730 0.83 OPRM1 (0.54) OPRM1OPRK1OPRD1HSP90AB1ALDH1A1
SCHEMBL7537151 0.83 OPRM1 (0.54) OPRM1ALDH1A1LMNATP53ALOX15
SCHEMBL6772068 0.82 ALDH1A1 (0.57) OPRM1OPRK1OPRD1HSP90AB1ALDH1A1
SCHEMBL1220991 0.81 OPRM1 (0.77) OPRM1OPRK1OPRD1HSP90AB1LMNA
SCHEMBL6771990 0.80 OPRM1 (0.54) OPRM1ALDH1A1LMNAHTTNPSR1
SCHEMBL1220925 0.80 OPRM1 (0.75) OPRM1HSP90AB1HTTHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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