SCHEMBL27635261

SCHEMBL27635261

COC1(C)CC(C)N(Cc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
HRH2 P25021 1/20 0.41
SIGMAR1 Q99720 4/20 0.40
GAA P10253 1/20 0.40
GRM6 O15303 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
OPRM1 P35372 1/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4391046 0.81 MAPT (0.47) MAPTSIGMAR1GAAGRM6TMEM97
SCHEMBL3604990 0.76 MAPT (0.47) MAPTGAAGRM6TMEM97LMNA
SCHEMBL4401474 0.75 MAPT (0.45) MAPTSIGMAR1GRM6TMEM97OPRM1
SCHEMBL26620089 0.74 GAA (0.59) SIGMAR1GAAACHELMNA
SCHEMBL2205566 0.73 MAPT (0.43) MAPTHRH2GRM6TMEM97
SCHEMBL21057421 0.72 MAPT (0.45) MAPTSIGMAR1GAAGRM6TMEM97
SCHEMBL4395795 0.72 MAPT (0.42) MAPTHRH2SIGMAR1GRM6TMEM97
SCHEMBL22525231 0.72 MAPT (0.46) MAPTGRM6ACHELMNA
SCHEMBL21563539 0.72 MAPT (0.46) MAPTGRM6ACHELMNA
SCHEMBL24802004 0.71 MAPT (0.44) MAPTSIGMAR1GAATMEM97ACHE

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
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed