SCHEMBL7079043

SCHEMBL7079043

NCCCC1(c2ccccc2Cl)C2CC3CC(C2)CC1C3

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.37
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
P2RX7 Q99572 4/20 0.34
PNMT P11086 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL7080304 0.82 HSD11B1 (0.38) HSD11B1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7079630 0.81 HSD11B1 (0.38) HSD11B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7079499 0.81 HSD11B1 (0.39) HSD11B1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7135312 0.80 HSD11B1 (0.38) HSD11B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7079468 0.79 HTR2A (0.37) HSD11B1P2RX7HTR2AHTR2CHTR2B
SCHEMBL7077915 0.79 HTR2C (0.37) HSD11B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7078034 0.78 HSD11B1 (0.55) HSD11B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7082807 0.78 HSD11B1 (0.38) HSD11B1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7191573 0.78 HTR2C (0.39) HSD11B1P2RX7HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL7081956 0.78 HTR2C (0.39) HSD11B1GRIN2DGRIN3BGRIN1GRIN2A

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 2 patents. 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 claimed
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