Cyclohexane

Cyclohexane

SCHEMBL6181887

C1CCCCC1.COc1ccc(C[C@H](CN2CCC(c3ccccc3OC)CC2)NC(=O)O)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
DRD4 P21917 2/20 0.46
DRD2 P14416 2/20 0.46
CHRM4 P08173 1/20 0.46
ATM Q13315 1/20 0.45
CACNA1G O43497 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MCOLN2 Q8IZK6 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MCOLN1 Q9GZU1 1/20 0.41

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
Cyclohexane SCHEMBL6179896 0.94 MEN1 (0.57) MEN1KMT2ADRD4DRD2CHRM4
SCHEMBL6179800 0.91 MEN1 (0.53) MEN1KMT2ADRD4DRD2CHRM4
SCHEMBL6176194 0.90 MEN1 (0.52) MEN1KMT2ADRD4DRD2CHRM4
SCHEMBL6181828 0.86 MEN1 (0.45) MEN1KMT2ADRD4DRD2CHRM4
SCHEMBL6178285 0.86 MEN1 (0.55) MEN1KMT2ADRD4DRD2CHRM4
SCHEMBL6177901 0.84 MEN1 (0.50) MEN1KMT2ADRD4DRD2CHRM4
SCHEMBL6177540 0.82 MEN1 (0.46) MEN1KMT2ADRD4DRD2CHRM4
SCHEMBL6180627 0.80 DRD4 (0.51) MEN1KMT2ADRD4DRD2CHRM4
SCHEMBL6180651 0.79 MEN1 (0.56) MEN1KMT2ADRD4DRD2ATM
SCHEMBL6176842 0.76 DRD4 (0.63) MEN1KMT2ADRD4DRD2CHRM4

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-1140830-B1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY WYETH CORP (US) 2005-05-04 EP claimed