SCHEMBL9139331

SCHEMBL9139331

O=C(c1cncc(Br)c1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.73
FNTB P49356 6/20 0.73
SLC6A15 Q9H2J7 13/20 0.67
HRH1 P35367 6/20 0.67
PTAFR P25105 3/20 0.67
MEN1 O00255 1/20 0.65
NPC1 O15118 1/20 0.65
CACNA1F O60840 1/20 0.65
NR1I2 O75469 1/20 0.65
GMNN O75496 1/20 0.65
USP2 O75604 1/20 0.65
ABCB11 O95342 1/20 0.65
LMNA P02545 1/20 0.65
TP53 P04637 1/20 0.65
CHRM2 P08172 1/20 0.65
ABCB1 P08183 1/20 0.65
CYP3A4 P08684 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
CYP2C8 P10632 1/20 0.65
CYP2D6 P10635 1/20 0.65

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
SCHEMBL8880256 0.91 FNTA (0.78) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL31350768 0.91 FNTA (0.78) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL16385870 0.89 FNTA (0.73) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL8879451 0.88 FNTA (0.85) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL8878143 0.87 FNTA (0.78) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL8879257 0.86 FNTA (0.89) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL8881143 0.84 FNTA (0.85) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL8877945 0.83 SLC6A15 (0.72) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL8877831 0.82 FNTA (0.75) FNTAFNTBSLC6A15HRH1PTAFR
SCHEMBL8879211 0.82 FNTA (0.75) FNTAFNTBSLC6A15HRH1PTAFR

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