SCHEMBL20122657

SCHEMBL20122657

CCCC(=O)N1CCn2c(cc3ccccc32)C1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.72

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
SCHEMBL21278137 0.89 SIGMAR1 (0.69) SIGMAR1
SCHEMBL16208532 0.85 SIGMAR1 (0.73) SIGMAR1
SCHEMBL17583783 0.84 SIGMAR1 (1.00) SIGMAR1
SCHEMBL16197424 0.83 SIGMAR1 (1.00) SIGMAR1
SCHEMBL16197087 0.82 SIGMAR1 (1.00) SIGMAR1
SCHEMBL16208506 0.81 SIGMAR1 (1.00) SIGMAR1
SCHEMBL5380065 0.80 SIGMAR1 (0.64) SIGMAR1
SCHEMBL16208524 0.80 SIGMAR1 (0.78) SIGMAR1
SCHEMBL16197413 0.80 SIGMAR1 (1.00) SIGMAR1
SCHEMBL16197810 0.80 SIGMAR1 (1.00) SIGMAR1

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
US-9963453-B2 Substituted pyrazino[1,2-a]indoles as sigma receptor activity modulators LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-05-08 US disclosed