SCHEMBL7079599

SCHEMBL7079599

O=[N+]([O-])C=CCC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.52
ALDH1A1 P00352 2/20 0.45
FBP1 P09467 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7080287 0.87 HSD11B1 (0.52) HSD11B1ALDH1A1FBP1MEN1KMT2A
SCHEMBL7082944 0.86 HSD11B1 (0.51) HSD11B1FBP1MEN1KMT2A
SCHEMBL7082940 0.86 HSD11B1 (0.51) HSD11B1FBP1MEN1KMT2A
SCHEMBL7082452 0.85 HSD11B1 (0.39) HSD11B1ALDH1A1MEN1KMT2ANR1I2
SCHEMBL7079650 0.78 FBP1 (0.41) HSD11B1ALDH1A1FBP1MEN1KMT2A
SCHEMBL7082909 0.76 HSD11B1 (0.57) HSD11B1ALDH1A1MEN1KMT2AHTT
SCHEMBL7079469 0.75 FBP1 (0.44) HSD11B1FBP1SMN1; SMN2
SCHEMBL7083810 0.74 HSD11B1 (0.33) HSD11B1
SCHEMBL7083812 0.74 HSD11B1 (0.33) HSD11B1
Hydrochloric Acid SCHEMBL6900311 0.69 HSD11B1 (0.60) HSD11B1ALDH1A1MEN1KMT2AHTT

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
WO-2003064372-A1 2-ADAMANTYLALKYLAMINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2003-08-07 WO disclosed