SCHEMBL681286

SCHEMBL681286

C=C(C(C)C)[C@H](CCN(C)C)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 15/20 0.46
CHRM2 P08172 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
ADRA2B P18089 2/20 0.43
SLC6A2 P23975 2/20 0.43
HRH2 P25021 2/20 0.43
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
HRH1 P35367 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KCNH2 Q12809 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
ADRA1A P35348 1/20 0.43
SCN1A P35498 1/20 0.43

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
SCHEMBL681415 0.84 CHRM2 (0.43) UTS2RCHRM2CHRM1ADRA2BSLC6A2
SCHEMBL681356 0.84 UTS2R (0.49) UTS2R
SCHEMBL12194496 0.84 LMNA (0.46) UTS2RSLC6A2SLC6A4KCNH2L3MBTL1
SCHEMBL680133 0.84 LMNA (0.46) UTS2RSLC6A2SLC6A4KCNH2L3MBTL1
SCHEMBL14295089 0.81 UTS2R (0.51) UTS2R
SCHEMBL10573655 0.79 UTS2R (0.50) UTS2R
SCHEMBL12194484 0.78 AOC3 (0.41) SLC6A2SLC6A4L3MBTL1
SCHEMBL681322 0.78 AOC3 (0.41) SLC6A2SLC6A4L3MBTL1
SCHEMBL22622608 0.78 UTS2R (0.46) UTS2R
SCHEMBL12194497 0.77 AOC3 (0.41) UTS2RSLC6A2SLC6A4CYP2C9L3MBTL1

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-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed