SCHEMBL9167967

SCHEMBL9167967

CC(=O)N1CCC(=C2c3ccccc3CCn3ccnc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 12/20 0.64
HRH1 P35367 3/20 0.49
FNTA P49354 3/20 0.48
FNTB P49356 3/20 0.48
SLC6A15 Q9H2J7 1/20 0.48
NOTUM Q6P988 1/20 0.44

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
SCHEMBL18102086 0.87 HRH1 (0.67) PTAFRHRH1FNTAFNTBSLC6A15
SCHEMBL9167320 0.85 FNTA (0.51) PTAFRHRH1FNTAFNTB
SCHEMBL5060507 0.85 SETD7 (0.59) PTAFRHRH1
SCHEMBL6987948 0.81 HRH1 (0.47) PTAFRHRH1FNTAFNTB
SCHEMBL9129563 0.81 HRH1 (0.41) PTAFRHRH1FNTAFNTB
SCHEMBL6990659 0.81 PTAFR (0.42) PTAFRHRH1FNTAFNTBSLC6A15
SCHEMBL6988078 0.80 SIGMAR1 (0.41) PTAFRHRH1FNTAFNTB
SCHEMBL6987747 0.79 HRH1 (0.62) PTAFRHRH1FNTAFNTB
SCHEMBL6991281 0.79 HRH1 (0.43) PTAFRHRH1FNTAFNTB
Fumaric Acid SCHEMBL9386969 0.79 MAPK1 (0.43) PTAFRHRH1FNTAFNTB

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
EP-0552292-B1 SUBSTITUTED IMIDAZOBENZAZEPINES AND IMIDAZOPYRIDOAZEPINES SCHERING CORP (US) 1995-06-21 EP disclosed
US-5393753-A Antiallergens, antiinflammatory agents SCHERING CORPORATION (US) 1995-02-28 US disclosed
WO-1992006981-A1 SUBSTITUTED IMIDAZOBENZAZEPINES AND IMIDAZOPYRIDOAZEPINES SCHERING CORPORATION (US) 1992-04-30 WO disclosed