SCHEMBL9591990

SCHEMBL9591990

COc1ccc(C(=O)N2CCC(=C3c4ccc(S(C)(=O)=O)cc4CCc4cccnc43)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 9/20 0.59
FNTA P49354 4/20 0.59
FNTB P49356 4/20 0.59
SLC6A15 Q9H2J7 10/20 0.54
HRH1 P35367 4/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
CACNA1F O60840 1/20 0.50
NR1I2 O75469 1/20 0.50
GMNN O75496 1/20 0.50
USP2 O75604 1/20 0.50
ABCB11 O95342 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CHRM2 P08172 1/20 0.50
ABCB1 P08183 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL9592263 0.94 PTAFR (0.60) PTAFRFNTAFNTBSLC6A15HRH1
SCHEMBL9592313 0.90 PTAFR (0.55) PTAFRFNTAFNTBSLC6A15HRH1
SCHEMBL9591515 0.88 PTAFR (0.60) PTAFRFNTAFNTBSLC6A15HRH1
SCHEMBL8876671 0.88 PTAFR (0.64) PTAFRFNTAFNTBSLC6A15HRH1
SCHEMBL9590656 0.87 PTAFR (0.62) PTAFRFNTAFNTBSLC6A15HRH1
SCHEMBL9593377 0.87 FNTA (0.65) PTAFRFNTAFNTBSLC6A15HRH1
SCHEMBL9589545 0.85 PTAFR (0.56) PTAFRFNTAFNTBSLC6A15HRH1
SCHEMBL9592566 0.83 PTAFR (0.74) PTAFRFNTAFNTBSLC6A15HRH1
SCHEMBL9663718 0.83 PTAFR (0.57) PTAFRFNTAFNTBSLC6A15HRH1
SCHEMBL9591552 0.82 SLC6A15 (0.75) PTAFRFNTAFNTBSLC6A15HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5231101-A Antihistamines SS PHARMACEUTICAL CO., LTD. (JP) 1993-07-27 US disclosed
EP-0495484-A1 Novel benzo [5,6] cyclohepta [1,2-b] pyridine derivatives and antiallergic agents comprising same SS PHARMACEUTICAL CO., LTD. (JP) 1992-07-22 EP disclosed