SCHEMBL8879730

SCHEMBL8879730

CC(=O)N1CCC(=C2c3ccc(Cl)cc3C(O)Cc3cccnc32)CC1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.79
FNTA P49354 4/20 0.75
FNTB P49356 4/20 0.75
PTAFR P25105 11/20 0.72
SLC6A15 Q9H2J7 4/20 0.72

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
Acetic Acid SCHEMBL10542917 0.90 HRH1 (0.73) HRH1FNTAFNTBPTAFRSLC6A15
SCHEMBL9664540 0.89 HRH1 (0.76) HRH1FNTAFNTBPTAFRSLC6A15
SCHEMBL8879653 0.89 HRH1 (0.79) HRH1FNTAFNTBPTAFRSLC6A15
SCHEMBL6178727 0.85 FNTA (0.75) HRH1FNTAFNTBSLC6A15
SCHEMBL9373907 0.84 PTAFR (0.74) HRH1FNTAFNTBPTAFRSLC6A15
Sch-37370 SCHEMBL29754039 0.84 PTAFR (1.00) HRH1FNTAFNTBPTAFRSLC6A15
Sch-37370 SCHEMBL3071641 0.84 PTAFR (1.00) HRH1FNTAFNTBPTAFRSLC6A15
Sch-37370 SCHEMBL29626524 0.84 PTAFR (1.00) HRH1FNTAFNTBPTAFRSLC6A15
SCHEMBL6180027 0.83 FNTA (0.76) HRH1FNTAFNTBPTAFRSLC6A15
SCHEMBL8880503 0.82 PTAFR (1.00) HRH1FNTAFNTBPTAFRSLC6A15

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 3 patents. 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 claimed
US-5665726-A ANTIALLERGIC, ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 1997-09-09 US disclosed
US-5089496-A Benzo[5,6]cycloheptapyridine compounds, compositions and method of treating allergies SCHERING CORPORATION (US) 1992-02-18 US disclosed