SCHEMBL8877892

SCHEMBL8877892

CC(=O)N1CCC(=C2c3ccccc3CCc3cccnc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 13/20 1.00
SLC6A15 Q9H2J7 4/20 0.76
HRH1 P35367 3/20 0.76
FNTA P49354 3/20 0.76
FNTB P49356 3/20 0.76
CHRM2 P08172 1/20 0.72
HTR1A P08908 1/20 0.72
CHRM1 P11229 1/20 0.72
DRD2 P14416 1/20 0.72
HTR2A P28223 1/20 0.72
HTR2C P28335 1/20 0.72
ADRA1A P35348 1/20 0.72
OPRK1 P41145 1/20 0.72
HTR2B P41595 1/20 0.72
KCNH2 Q12809 1/20 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
SCHEMBL9374596 0.95 PTAFR (0.91) PTAFRSLC6A15HRH1FNTAFNTB
SCHEMBL8880239 0.87 PTAFR (1.00) PTAFRSLC6A15HRH1FNTAFNTB
SCHEMBL8879694 0.87 PTAFR (1.00) PTAFRSLC6A15HRH1FNTAFNTB
SCHEMBL8879783 0.87 PTAFR (0.77) PTAFRSLC6A15HRH1FNTAFNTB
SCHEMBL30056292 0.87 HRH1 (0.80) PTAFRSLC6A15HRH1FNTAFNTB
SCHEMBL9073792 0.87 HRH1 (0.80) PTAFRSLC6A15HRH1FNTAFNTB
SCHEMBL8879488 0.86 PTAFR (1.00) PTAFRSLC6A15HRH1FNTAFNTB
Sch-37370 SCHEMBL3071641 0.86 PTAFR (1.00) PTAFRSLC6A15HRH1FNTAFNTB
SCHEMBL6177676 0.86 PTAFR (1.00) PTAFRSLC6A15HRH1FNTAFNTB
Sch-37370 SCHEMBL29626524 0.86 PTAFR (1.00) PTAFRSLC6A15HRH1FNTAFNTB

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 8 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
WO-1993020063-A1 UNBRIDGED BIS-ARYL CARBINOL DERIVATIVES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1993-10-14 WO disclosed
US-5089496-A Benzo[5,6]cycloheptapyridine compounds, compositions and method of treating allergies SCHERING CORPORATION (US) 1992-02-18 US 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