SCHEMBL1286746

SCHEMBL1286746

CC1OC([C@@H]2CCN2Cc2ccccc2)O1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.50
ACHE P22303 1/20 0.46
HTR1A P08908 2/20 0.43
GBA1 P04062 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL1286725 1.00 SIGMAR1 (0.50) SIGMAR1ACHEHTR1AGBA1TMEM97
SCHEMBL2885978 0.81 SIGMAR1 (0.54) SIGMAR1ACHEHTR1AGBA1
SCHEMBL9595473 0.76 SIGMAR1 (0.50) SIGMAR1ACHEHTR1AGBA1
SCHEMBL20588229 0.74 ACHE (0.56) SIGMAR1ACHEGBA1MAPT
SCHEMBL6853255 0.74 ACHE (0.56) SIGMAR1ACHEGBA1MAPT
SCHEMBL12204969 0.73 ACHE (0.55) SIGMAR1ACHE
SCHEMBL13995018 0.71 ACHE (0.53) SIGMAR1ACHEGBA1MAPT
SCHEMBL8301747 0.71 HTR1A (0.51) SIGMAR1ACHEHTR1AGBA1
SCHEMBL14417820 0.71 ACHE (0.53) SIGMAR1ACHEGBA1MAPT
SCHEMBL3176956 0.71 HTR1A (0.51) SIGMAR1ACHEHTR1AGBA1

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
EP-2114925-B1 AZETIDINE ANALOGUES OF NUCLEOSIDASE AND PHOSPHORYLASE INHIBITORS IND RES LTD (NZ) 2012-04-11 EP disclosed