SCHEMBL27456331

SCHEMBL27456331

O=C1CCN(CCCOc2nsnc2-c2cccnc2)C1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 0.53
CHRM4 P08173 7/20 0.53
CHRM2 P08172 4/20 0.53
CHRM5 P08912 4/20 0.53
CHRM3 P20309 4/20 0.53
HRH3 Q9Y5N1 2/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL27472225 0.85 CHRM2 (0.60) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL27456332 0.81 CHRM2 (0.53) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL27508476 0.78 CHRM2 (0.52) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL27548884 0.75 CHRM4 (0.51) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL7617382 0.75 CHRM1 (0.71) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL4029522 0.74 CHRM1 (0.67) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL7900617 0.74 CHRM1 (0.74) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL9394582 0.74 HTR1A (0.50) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL9392492 0.74 HTR2A (0.48) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL7611338 0.74 CHRM1 (0.71) CHRM1CHRM4CHRM2CHRM5CHRM3

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-1133008-A Antipsychotic method NOVO NORDISK AS (DK) 1996-10-09 CN claimed