SCHEMBL8879303

SCHEMBL8879303

O=C(c1ccccc1)N1CCC(=C2c3ccccc3CCc3cccnc32)CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 10/20 0.74
FNTA P49354 7/20 0.69
FNTB P49356 7/20 0.69
HRH1 P35367 3/20 0.67
CHRM2 P08172 1/20 0.65
HTR1A P08908 1/20 0.65
CHRM1 P11229 1/20 0.65
DRD2 P14416 1/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
ADRA1A P35348 1/20 0.65
OPRK1 P41145 1/20 0.65
HTR2B P41595 1/20 0.65
KCNH2 Q12809 1/20 0.65
SLC6A15 Q9H2J7 4/20 0.57

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
SCHEMBL8879257 0.88 FNTA (0.89) PTAFRFNTAFNTBHRH1CHRM2
SCHEMBL9592515 0.87 FNTA (0.71) PTAFRFNTAFNTBHRH1SLC6A15
SCHEMBL9590605 0.86 FNTA (0.67) PTAFRFNTAFNTBHRH1SLC6A15
SCHEMBL9591037 0.86 FNTA (0.66) PTAFRFNTAFNTBHRH1SLC6A15
SCHEMBL8877892 0.85 PTAFR (1.00) PTAFRFNTAFNTBHRH1CHRM2
SCHEMBL9593377 0.85 FNTA (0.65) PTAFRFNTAFNTBHRH1SLC6A15
SCHEMBL8876671 0.83 PTAFR (0.64) PTAFRFNTAFNTBHRH1CHRM2
SCHEMBL9075282 0.83 HRH1 (0.73) PTAFRFNTAFNTBHRH1CHRM2
SCHEMBL30056292 0.82 HRH1 (0.80) PTAFRFNTAFNTBHRH1CHRM2
SCHEMBL9073792 0.82 HRH1 (0.80) PTAFRFNTAFNTBHRH1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665726-A ANTIALLERGIC, ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 1997-09-09 US disclosed
EP-0685476-A1 Benzo(5,6)cycloheptapyridines, compositions and methods of use SCHERING CORPORATION (US) 1995-12-06 EP disclosed
US-5438062-A Antiallergens, antiinflammatory agents SCHERING CORPORATION (US) 1995-08-01 US disclosed
EP-0270818-B1 Benzo(5,6)cycloheptapyridines, compositions and method of use SCHERING CORP (US) 1994-12-28 EP disclosed
US-5089496-A Benzo[5,6]cycloheptapyridine compounds, compositions and method of treating allergies SCHERING CORPORATION (US) 1992-02-18 US disclosed
EP-0330673-A1 BENZO 5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1989-09-06 EP disclosed
US-4826853-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 1989-05-02 US disclosed
EP-0270818-A1 Benzo(5,6)cycloheptapyridines, compositions and method of use SCHERING CORPORATION (US) 1988-06-15 EP disclosed
WO-1988003138-A1 BENZO[5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1988-05-05 WO disclosed