SCHEMBL9521742

SCHEMBL9521742

O=c1ccoc2ccc(OCCCCCCN3CCCCC3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 1.00
ACHE P22303 6/20 0.98
MAOB P27338 4/20 0.98
BCHE P06276 2/20 0.98
HRH3 Q9Y5N1 1/20 0.65

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
SCHEMBL28030976 0.99 SIGMAR1 (1.00) SIGMAR1ACHEMAOBBCHEHRH3
SCHEMBL28030948 0.98 SIGMAR1 (1.00) SIGMAR1ACHEMAOBBCHE
SCHEMBL28031516 0.89 SIGMAR1 (0.83) SIGMAR1ACHEMAOBBCHEHRH3
SCHEMBL28030968 0.88 SIGMAR1 (1.00) SIGMAR1ACHEMAOBBCHE
SCHEMBL28030971 0.88 SIGMAR1 (0.82) SIGMAR1ACHEMAOBBCHE
SCHEMBL9426312 0.87 SIGMAR1 (0.78) SIGMAR1ACHEMAOBBCHE
SCHEMBL7899445 0.86 SIGMAR1 (0.82) SIGMAR1ACHEMAOBBCHE
SCHEMBL10518678 0.84 SIGMAR1 (0.75) SIGMAR1ACHEMAOBBCHE
SCHEMBL10519899 0.80 MAOB (0.69) SIGMAR1ACHEMAOBBCHE
SCHEMBL28031514 0.79 SIGMAR1 (0.83) SIGMAR1ACHEMAOBBCHE

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-0533804-A4 SIGMA BINDING SITE AGENTS 1993-04-21 EP claimed