SCHEMBL11458259

SCHEMBL11458259

Oc1cccc(OCCC2CCCN2)c1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.75
CHRNA3 P32297 5/20 0.75
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CNR2 P34972 1/20 0.44
CNR1 P21554 1/20 0.44
SSTR2 P30874 1/20 0.43

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
SCHEMBL11455586 0.96 CHRNB4 (0.69) CHRNB4CHRNA3CHRNB2CHRNA4CNR2
SCHEMBL3830309 0.86 CHRNB4 (1.00) CHRNB4CHRNA3
SCHEMBL14578215 0.84 CHRNB4 (0.52) CHRNB4CHRNA3SSTR2
SCHEMBL11466396 0.83 CHRNB4 (0.52) CHRNB4CHRNA3
SCHEMBL11455927 0.83 CHRNB4 (0.52) CHRNB4CHRNA3
SCHEMBL3973615 0.83 CHRNB4 (0.52) CHRNB4CHRNA3
SCHEMBL11458473 0.83 CHRNB4 (0.52) CHRNB4CHRNA3
SCHEMBL11450540 0.83 CHRNB4 (0.52) CHRNB4CHRNA3
SCHEMBL7955171 0.83 CHRNB4 (0.52) CHRNB4CHRNA3
SCHEMBL11455784 0.83 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