SCHEMBL9136454

SCHEMBL9136454

Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2ccncc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 1.00
PTAFR P25105 1/20 0.77
FNTA P49354 1/20 0.72
FNTB P49356 1/20 0.72
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
SCHEMBL16385871 0.92 HRH1 (0.87) HRH1PTAFRFNTAFNTBKCNH2
SCHEMBL9142787 0.91 HRH1 (1.00) HRH1PTAFRFNTAFNTBKCNH2
SCHEMBL9140352 0.89 HRH1 (0.85) HRH1PTAFRKCNH2
SCHEMBL31169376 0.88 HRH1 (0.80) HRH1PTAFRKCNH2
SCHEMBL20952211 0.88 HRH1 (0.80) HRH1PTAFRKCNH2
SCHEMBL25441281 0.88 HRH1 (0.80) HRH1PTAFRKCNH2
SCHEMBL9755021 0.88 HRH1 (0.78) HRH1PTAFRFNTAFNTBKCNH2
Rupatadine SCHEMBL29400290 0.87 HRH1 (1.00) HRH1PTAFRFNTAFNTBKCNH2
SCHEMBL9138981 0.87 HRH1 (0.80) HRH1PTAFRFNTAFNTBKCNH2
Rupatadine SCHEMBL30730975 0.87 HRH1 (1.00) HRH1PTAFRFNTAFNTBKCNH2

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-0535152-B1 Bis-benzo or benzopyrido cyclo hepta piperidene, piperidylene and piperazine compounds as PAF antagonists and compositions thereof. SCHERING CORP (US) 1995-08-09 EP disclosed
US-5422351-A Antiallergens; antiinflammatory agents SCHERING CORPORATION (US) 1995-06-06 US 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