SCHEMBL6166305

SCHEMBL6166305

Cc1nn(-c2ccccc2)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.76
LMNA P02545 1/20 0.66
TSHR P16473 1/20 0.66
KMT2A Q03164 2/20 0.61
HTT P42858 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
OPRK1 P41145 3/20 0.58
OPRD1 P41143 2/20 0.58

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
SCHEMBL6770719 0.86 OPRM1 (0.76) OPRM1OPRK1OPRD1
SCHEMBL1220991 0.85 OPRM1 (0.77) OPRM1LMNATSHRKMT2AHTT
SCHEMBL6771820 0.85 OPRM1 (0.75) OPRM1OPRK1OPRD1
SCHEMBL6772954 0.84 OPRM1 (0.78) OPRM1OPRK1OPRD1
SCHEMBL6163702 0.84 OPRM1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL6770401 0.84 OPRM1 (0.77) OPRM1LMNATSHRHTTHSD17B10
SCHEMBL6162637 0.82 OPRM1 (0.63) OPRM1LMNATSHRKMT2AHTT
SCHEMBL6165217 0.82 OPRM1 (0.53) OPRM1LMNATSHRKMT2AHTT
SCHEMBL6168169 0.82 OPRM1 (0.53) OPRM1LMNATSHRKMT2AHTT
SCHEMBL1220925 0.82 OPRM1 (0.75) OPRM1KMT2AHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344997-B1 OPIOID RECEPTOR MODULATORS AND USE THEREOF UNIV MINNESOTA (US) 2020-11-18 EP disclosed
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