SCHEMBL9683890

SCHEMBL9683890

CC(=O)N1CC(Oc2c(C)cccc2C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KIF11 P52732 1/20 0.39
HTR1A P08908 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
NOTUM Q6P988 2/20 0.38
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM5 P41594 1/20 0.38
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36

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
SCHEMBL9450761 0.77 HTR1A (0.41) KDM4EHTR1ASLC6A2FPR2PROKR1
SCHEMBL9450885 0.76 HTR1A (0.43) ALDH1A1KDM4EHTR1ASLC6A2SLC6A4
SCHEMBL6123500 0.76 SCD (0.51) ALDH1A1SLC6A2NOTUMPRKAB2PRKAG1
SCHEMBL9450786 0.74 SCN9A (0.41) HTR1ASLC6A2MEN1KMT2A
SCHEMBL9450889 0.74 KIF11 (0.40) KDM4EKIF11HTR1ASLC6A2
SCHEMBL9683909 0.72 SLC6A4 (0.40) ALDH1A1KDM4EKIF11HTR1ASLC6A2
Hydrochloric Acid SCHEMBL9682487 0.71 SLC6A4 (0.39) ALDH1A1KDM4EKIF11HTR1ASLC6A2
SCHEMBL27037992 0.71 PRKAB2 (0.47) GRM5PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1196749 0.71 PRKAB2 (0.47) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6123546 0.71 EPHX2 (0.40) MEN1KMT2AGRM5

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-5130309-A Cardiovascular disorders A. H. ROBINS COMPANY, INCORPORATED (US) 1992-07-14 US disclosed