SCHEMBL7462997

SCHEMBL7462997

c1ccc2sc(C3CC4CCC(C3)N4)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
SLC6A4 P31645 8/20 0.50
DRD2 P14416 1/20 0.50
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A3 Q01959 4/20 0.39
SLC6A2 P23975 2/20 0.39
HTR1A P08908 3/20 0.39
HTR2A P28223 3/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2C P28335 2/20 0.36
CYP2A6 P11509 3/20 0.35
ASIC3 Q9UHC3 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL7462994 1.00 ALOX5 (0.51) ALOX5SLC6A4DRD2CHRM2CHRM4
SCHEMBL28359596 0.82 SLC6A4 (0.61) ALOX5SLC6A4DRD2CHRM2CHRM4
SCHEMBL31172103 0.82 SLC6A4 (0.61) ALOX5SLC6A4DRD2CHRM2CHRM4
SCHEMBL2708963 0.78 SLC6A4 (0.54) ALOX5SLC6A4DRD2CHRM2CHRM4
SCHEMBL22728501 0.77 ALOX5 (0.51) ALOX5SLC6A4DRD2CHRM2CHRM4
Hydrochloric Acid SCHEMBL22721156 0.76 ALOX5 (0.50) ALOX5SLC6A4DRD2CHRM2CHRM4
Hydrochloric Acid SCHEMBL29732447 0.76 ALOX5 (0.50) ALOX5SLC6A4DRD2CHRM2CHRM4
SCHEMBL4670974 0.75 SLC6A4 (0.54) ALOX5SLC6A4DRD2CHRM2CHRM4
SCHEMBL31412580 0.74 SLC6A4 (0.50) ALOX5SLC6A4DRD2CHRM2CHRM4
SCHEMBL5758349 0.74 SLC6A4 (0.50) ALOX5SLC6A4DRD2CHRM2CHRM4

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
EP-1242419-A1 AZABICYCLO 3.2.1]OCTANE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001046187-A1 AZABICYCLO[3.2.1]OCTANE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed