SCHEMBL8889686

SCHEMBL8889686

O=C(N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)C(F)(F)F

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.76
SLC6A15 Q9H2J7 13/20 0.76
HRH1 P35367 6/20 0.76
FNTA P49354 5/20 0.76
FNTB P49356 5/20 0.76
PTAFR P25105 3/20 0.76
MEN1 O00255 1/20 0.69
NPC1 O15118 1/20 0.69
CACNA1F O60840 1/20 0.69
NR1I2 O75469 1/20 0.69
GMNN O75496 1/20 0.69
USP2 O75604 1/20 0.69
ABCB11 O95342 1/20 0.69
LMNA P02545 1/20 0.69
TP53 P04637 1/20 0.69
CHRM2 P08172 1/20 0.69
ABCB1 P08183 1/20 0.69
CYP3A4 P08684 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
CYP2C8 P10632 1/20 0.69

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
SCHEMBL8889578 0.90 SLC6A15 (0.79) SLC6A15HRH1FNTAFNTBPTAFR
SCHEMBL3367280 0.87 SLC6A15 (0.82) MGLLSLC6A15HRH1FNTAFNTB
Sch-37370 SCHEMBL29754039 0.86 PTAFR (1.00) SLC6A15HRH1FNTAFNTBPTAFR
Sch-37370 SCHEMBL29626524 0.86 PTAFR (1.00) SLC6A15HRH1FNTAFNTBPTAFR
Sch-37370 SCHEMBL3071641 0.86 PTAFR (1.00) SLC6A15HRH1FNTAFNTBPTAFR
SCHEMBL8877992 0.86 SLC6A15 (0.76) MGLLSLC6A15HRH1FNTAFNTB
SCHEMBL8878121 0.85 SLC6A15 (0.86) SLC6A15HRH1FNTAFNTBPTAFR
SCHEMBL8891276 0.85 SLC6A15 (0.83) SLC6A15HRH1FNTAFNTBPTAFR
SCHEMBL8880224 0.84 SLC6A15 (1.00) SLC6A15HRH1FNTAFNTBPTAFR
Loratadine SCHEMBL22320944 0.84 SLC6A15 (0.88) MGLLSLC6A15HRH1FNTAFNTB

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
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
WO-1988003138-A1 BENZO[5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1988-05-05 WO disclosed