SCHEMBL8880225

SCHEMBL8880225

CC(C)C1(O)c2ccc(Cl)cc2CCc2cccnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.53
FNTB P49356 2/20 0.53
PDK2 Q15119 1/20 0.42
HRH1 P35367 9/20 0.41
SLC6A15 Q9H2J7 8/20 0.41
LMNA P02545 3/20 0.38
PTAFR P25105 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
CHRM2 P08172 2/20 0.38
ABCB1 P08183 2/20 0.38
CHRM3 P20309 2/20 0.38
TBXA2R P21731 2/20 0.38
HRH2 P25021 2/20 0.38
HTR2A P28223 2/20 0.38
OPRK1 P41145 2/20 0.38
HTR2B P41595 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KMT2A Q03164 2/20 0.38
KCNH2 Q12809 2/20 0.38

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
SCHEMBL6181641 0.81 FNTA (0.52) FNTAFNTBHRH1SLC6A15LMNA
SCHEMBL8878464 0.76 FNTA (0.43) FNTAFNTBHRH1SLC6A15LMNA
SCHEMBL4457894 0.75 MAPK1 (0.53) FNTAFNTBHRH1SLC6A15SMN1; SMN2
SCHEMBL32668926 0.75 MAPK1 (0.53) FNTAFNTBHRH1SLC6A15SMN1; SMN2
SCHEMBL24592167 0.72 FNTA (0.52) FNTAFNTBHRH1SLC6A15LMNA
SCHEMBL30101891 0.72 FNTA (0.52) FNTAFNTBHRH1SLC6A15LMNA
SCHEMBL8786099 0.70 FNTA (0.42) FNTAFNTBHRH1SMN1; SMN2DRD2
SCHEMBL18994396 0.70 FNTA (0.45) FNTAFNTBHRH1LMNAMEN1
SCHEMBL14384091 0.70 HRH1 (0.56) FNTAFNTBHRH1SLC6A15LMNA
SCHEMBL31612796 0.69 FNTA (0.43) FNTAFNTBHRH1LMNAMEN1

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-5665726-A ANTIALLERGIC, ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 1997-09-09 US disclosed
US-5089496-A Benzo[5,6]cycloheptapyridine compounds, compositions and method of treating allergies SCHERING CORPORATION (US) 1992-02-18 US disclosed