SCHEMBL4760070

SCHEMBL4760070

O[C@@H]1CCCC[C@H]1NCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.41
SI P14410 3/20 0.41
GLB1 P16278 1/20 0.38
HTR1A P08908 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TRPV3 Q8NET8 5/20 0.33
LTA4H P09960 1/20 0.33
KDM1A O60341 1/20 0.33
MAN1B1 Q9UKM7 1/20 0.32
EPHX1 P07099 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL14260876 1.00 MGAM (0.41) MGAMSIGLB1HTR1ACHRM2
SCHEMBL14367251 1.00 MGAM (0.41) MGAMSIGLB1HTR1ACHRM2
SCHEMBL6232907 1.00 MGAM (0.41) MGAMSIGLB1HTR1ACHRM2
SCHEMBL3340637 1.00 MGAM (0.41) MGAMSIGLB1HTR1ACHRM2
SCHEMBL14394993 1.00 MGAM (0.41) MGAMSIGLB1HTR1ACHRM2
SCHEMBL20833339 0.80 MGAM (0.37) MGAMSIGLB1HTR1ACHRM2
SCHEMBL22260013 0.78 MGAM (0.37) MGAMSIGLB1HTR1ACHRM2
SCHEMBL25972411 0.77 MGAM (0.37) MGAMSIGLB1HTR1ACHRM2
SCHEMBL25972414 0.77 MGAM (0.39) MGAMSIGLB1HTR1ACHRM2
SCHEMBL22260012 0.75 MGAM (0.38) MGAMSIGLB1HTR1ACHRM2

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-1996202-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007104933-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed