SCHEMBL18723481

SCHEMBL18723481

CC1C(CCn2ccc3c2CCCC3=O)CC1CN1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
METAP1 P53582 2/20 0.33
CHRNA7 P36544 11/20 0.33
ELANE P08246 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRND Q07001 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL3318292 0.79 CHRNA7 (0.32) PLK1CSNK2A1PLK3METAP1CHRNA7
SCHEMBL3318336 0.72 KDM4E (0.34) KCNH2
SCHEMBL11280877 0.72 CSNK2A1 (0.44) PLK1CSNK2A1PLK3
SCHEMBL11270598 0.69 PLK1 (0.41) PLK1CSNK2A1PLK3
SCHEMBL18723490 0.69 KDM4E (0.33) KCNH2
SCHEMBL8327546 0.69 HTT (0.41) PLK1CSNK2A1PLK3ELANE
SCHEMBL13415965 0.68 BRD4 (0.44) PLK1CSNK2A1PLK3ELANE
SCHEMBL8221078 0.67 L3MBTL1 (0.34)
SCHEMBL1254852 0.66 HPGD (0.39) PLK1CSNK2A1PLK3
SCHEMBL2193115 0.65 HTR1A (0.47) KCNH2

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
EP-2066648-B1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2017-04-12 EP disclosed