SCHEMBL9739403

SCHEMBL9739403

COc1ccc2c(OCCCN3CCCCC(CN4Cc5cc(C)c(C)cc5C4=O)C3)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.40
KCNH2 Q12809 3/20 0.39
SIGMAR1 Q99720 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
SCHEMBL9739808 0.93 HRH3 (0.41) HRH3KCNH2
SCHEMBL9740374 0.93 HRH3 (0.41) HRH3KCNH2
SCHEMBL9739061 0.88 ACHE (0.40) SIGMAR1
SCHEMBL9739652 0.84 ADRA1B (0.45) HRH3
SCHEMBL9740254 0.83 HRH3 (0.44) HRH3
SCHEMBL9739322 0.82 HRH3 (0.42) HRH3
SCHEMBL9206673 0.82 PRMT5 (0.38) SIGMAR1
SCHEMBL9739164 0.82 HRH3 (0.51) HRH3
SCHEMBL9740331 0.81 HRH3 (0.51) HRH3
SCHEMBL9217084 0.81 ADRA1B (0.46) 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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed