SCHEMBL9728975

SCHEMBL9728975

CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3ccc(=O)[nH]c32)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 3/20 0.61
SLC6A15 Q9H2J7 3/20 0.61
FNTA P49354 2/20 0.61
FNTB P49356 2/20 0.61
HRH1 P35367 1/20 0.61

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
SCHEMBL8880098 0.77 PTAFR (0.72) PTAFRSLC6A15FNTAFNTBHRH1
Sch-37370 SCHEMBL3071641 0.76 PTAFR (1.00) PTAFRSLC6A15FNTAFNTBHRH1
SCHEMBL8878167 0.76 PTAFR (0.70) PTAFRSLC6A15FNTAFNTBHRH1
Sch-37370 SCHEMBL29754039 0.76 PTAFR (1.00) PTAFRSLC6A15FNTAFNTBHRH1
Sch-37370 SCHEMBL29626524 0.76 PTAFR (1.00) PTAFRSLC6A15FNTAFNTBHRH1
SCHEMBL6178757 0.76 FNTA (0.81) PTAFRSLC6A15FNTAFNTBHRH1
SCHEMBL9048355 0.75 PTAFR (0.60) PTAFRSLC6A15FNTAFNTBHRH1
Iodide SCHEMBL8878355 0.73 PTAFR (0.63) PTAFRSLC6A15FNTAFNTBHRH1
SCHEMBL8877955 0.73 FNTA (0.76) PTAFRSLC6A15FNTAFNTBHRH1
SCHEMBL8879119 0.73 PTAFR (0.74) PTAFRSLC6A15FNTAFNTBHRH1

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-5089496-A Benzo[5,6]cycloheptapyridine compounds, compositions and method of treating allergies SCHERING CORPORATION (US) 1992-02-18 US disclosed