SCHEMBL9140352

SCHEMBL9140352

Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2ccc(Cl)nc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 0.85
PTAFR P25105 2/20 0.73
KCNH2 Q12809 2/20 0.70

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
SCHEMBL9203176 0.92 HRH1 (1.00) HRH1PTAFRKCNH2
SCHEMBL9142787 0.90 HRH1 (1.00) HRH1PTAFRKCNH2
SCHEMBL16385871 0.89 HRH1 (0.87) HRH1PTAFRKCNH2
SCHEMBL9143268 0.89 HRH1 (0.80) HRH1PTAFRKCNH2
SCHEMBL9136454 0.89 HRH1 (1.00) HRH1PTAFRKCNH2
SCHEMBL25441281 0.87 HRH1 (0.80) HRH1PTAFRKCNH2
SCHEMBL31169376 0.87 HRH1 (0.80) HRH1PTAFRKCNH2
SCHEMBL20952211 0.87 HRH1 (0.80) HRH1PTAFRKCNH2
Rupatadine SCHEMBL30730975 0.85 HRH1 (1.00) HRH1PTAFRKCNH2
SCHEMBL9138981 0.85 HRH1 (0.80) HRH1PTAFRKCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5476856-A Treatment of PAF and histamine-mediated diseases with 8-chloro-11-[1-[(5-methyl-3-pyridyl)methyl]-4-piperidyliden]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine J. URIACH & CIA. S.A. (ES) 1995-12-19 US disclosed
EP-0577957-B1 8-Chloro-11-[1-[(5-methyl-3-pyridyl)methyl]-4-piperidyliden]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine URIACH & CIA SA J (ES) 1995-07-12 EP disclosed
US-5407941-A Platelet activating factor antagonist and antihistamine; useful for treating asthma and allergic disorders J. URIACH & CIA. S.A. (ES) 1995-04-18 US disclosed
EP-0577957-A1 8-Chloro-11-[1-[(5-methyl-3-pyridyl)methyl]-4-piperidyliden]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine J. URIACH & CIA. S.A. (ES) 1994-01-12 EP disclosed