SCHEMBL7078031

SCHEMBL7078031

NCCCC12CC3CC(CC(C3)C1c1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.42
GRIN3B O60391 3/20 0.42
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42
GRIN2B Q13224 3/20 0.42
GRIN2C Q14957 3/20 0.42
GRIN3A Q8TCU5 3/20 0.42
HTR2C P28335 9/20 0.35
HTR2B P41595 8/20 0.35
HTR2A P28223 6/20 0.35
MAOB P27338 5/20 0.35
MAOA P21397 4/20 0.35
KDM1A O60341 3/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
Hydrochloric Acid SCHEMBL7082027 0.99 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7085776 0.96 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7083348 0.94 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6680932 0.91 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6680842 0.90 HTR2C (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7054932 0.83 HTR2C (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6684561 0.82 EPHX2 (0.36) MAOBMAOAKDM1ANPC1RAB9A
SCHEMBL7079497 0.79 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7081997 0.78 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7135309 0.78 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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