SCHEMBL11447441

SCHEMBL11447441

CSc1cccc(OCCC2CCCN2)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
GHSR Q92847 1/20 0.48
DRD3 P35462 1/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL11466715 0.96 CHRNB4 (0.45) CHRNB4CHRNA3GHSRLTA4H
SCHEMBL11448286 0.84 CHRNB4 (0.46) CHRNB4CHRNA3
SCHEMBL11447738 0.84 LTA4H (0.45) CHRNA3LTA4H
SCHEMBL11455927 0.83 CHRNB4 (0.52) CHRNB4CHRNA3GHSR
SCHEMBL11455784 0.83 CHRNB4 (0.52) CHRNB4CHRNA3GHSR
SCHEMBL11712027 0.82 CHRNB4 (0.44) CHRNB4CHRNA3
SCHEMBL14578215 0.81 CHRNB4 (0.52) CHRNB4CHRNA3LTA4H
SCHEMBL11448940 0.81 CHRNB4 (0.43) CHRNB4CHRNA3DRD3LTA4H
SCHEMBL7955171 0.80 CHRNB4 (0.52) CHRNB4CHRNA3LTA4H
SCHEMBL11450540 0.80 CHRNB4 (0.52) CHRNB4CHRNA3

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-4225608-A ANTIDEPRESSANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-09-30 US disclosed