SCHEMBL7083527

SCHEMBL7083527

C=CCC1(c2cccc(C)c2)C2CC3CC(C2)CC1C3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.42
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL7083524 0.82 HSD11B1 (0.57) HSD11B1MEN1KMT2A
SCHEMBL7079477 0.82 HSD11B1 (0.57) HSD11B1MEN1KMT2ALMNA
SCHEMBL6685193 0.81 HTR2C (0.46) HSD11B1HTR2CHTR2AMEN1KMT2A
SCHEMBL7085591 0.80 KDM1A (0.43) HSD11B1HTR2CHTR2ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6896770 0.79 HTR2C (0.48) HSD11B1HTR2CHTR2AMEN1KMT2A
SCHEMBL7079650 0.78 FBP1 (0.41) HSD11B1HTR2CHTR2AMEN1KMT2A
SCHEMBL13216106 0.76 HSD11B1 (0.71) HSD11B1MEN1KMT2A
SCHEMBL7080251 0.74 HSD11B1 (0.41) HSD11B1MEN1KMT2A
SCHEMBL7082909 0.73 HSD11B1 (0.57) HSD11B1MEN1KMT2ALMNA
SCHEMBL6898977 0.72 CHRNA1 (0.43) HSD11B1HTR2CHTR2AMEN1KMT2A

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