SCHEMBL9740254

SCHEMBL9740254

COc1ccc2c(OCCCN3CCCCC(CN4CCc5ccccc5CC4=O)C3)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.44
ABCB1 P08183 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL9739322 0.93 HRH3 (0.42) HRH3ABCB1
SCHEMBL9739808 0.87 HRH3 (0.41) HRH3
SCHEMBL9739652 0.85 ADRA1B (0.45) HRH3ABCB1
SCHEMBL9740374 0.83 HRH3 (0.41) HRH3ABCB1
SCHEMBL9740185 0.83 HRH3 (0.51) HRH3ABCB1
SCHEMBL9739403 0.83 HRH3 (0.40) HRH3
SCHEMBL9217084 0.81 ADRA1B (0.46) ABCB1
SCHEMBL9739061 0.81 ACHE (0.40) ABCB1
SCHEMBL9738928 0.80 ABCB1 (0.42) HRH3ABCB1
SCHEMBL9740634 0.79 HRH3 (0.41) HRH3ABCB1

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed