SCHEMBL7078035

SCHEMBL7078035

CCc1ccc(C2(O)C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
GAA P10253 1/20 0.35
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
NR1I2 O75469 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34

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
SCHEMBL18911027 0.86 OPRM1 (0.39) HSD11B1MEN1KMT2AOPRM1OPRD1
SCHEMBL18911059 0.82 HSD11B1 (0.36) HSD11B1MEN1KMT2ANR1I2
SCHEMBL6899454 0.80 HSD11B1 (0.39) HSD11B1SLC5A1SLC5A2
SCHEMBL6899610 0.79 HSD11B1 (0.54) HSD11B1MEN1KMT2A
SCHEMBL18905472 0.79 HSD11B1 (0.37) HSD11B1MEN1KMT2ANR1I2
SCHEMBL18905317 0.77 HSD11B1 (0.35) HSD11B1MEN1KMT2ANR1I2
SCHEMBL15179667 0.77 NPSR1 (0.39) HSD11B1MEN1KMT2AGAA
SCHEMBL18905336 0.76 HSD11B1 (0.33) HSD11B1MEN1KMT2ANR1I2
SCHEMBL18910952 0.76 TSHR (0.47) HSD11B1MEN1KMT2A
SCHEMBL3024025 0.76 HSD11B1 (0.59) HSD11B1MEN1KMT2ANR1I2

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