SCHEMBL680133

SCHEMBL680133

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AOC3 Q16853 2/20 0.44
SLC6A4 P31645 2/20 0.43
SLC6A2 P23975 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KCNH2 Q12809 1/20 0.42
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 1/20 0.37
UTS2R Q9UKP6 2/20 0.36

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
SCHEMBL12194496 1.00 LMNA (0.46) LMNASMN1; SMN2AOC3SLC6A4SLC6A2
SCHEMBL12194484 0.87 AOC3 (0.41) LMNASMN1; SMN2AOC3SLC6A4SLC6A2
SCHEMBL681322 0.87 AOC3 (0.41) LMNASMN1; SMN2AOC3SLC6A4SLC6A2
SCHEMBL12194497 0.86 AOC3 (0.41) LMNASMN1; SMN2AOC3SLC6A4SLC6A2
SCHEMBL681286 0.84 UTS2R (0.46) SLC6A4SLC6A2KCNH2L3MBTL1UTS2R
SCHEMBL681223 0.83 LMNA (0.46) LMNASMN1; SMN2AOC3SLC6A4SLC6A2
SCHEMBL12193952 0.83 LMNA (0.46) LMNASMN1; SMN2AOC3SLC6A4SLC6A2
SCHEMBL12292982 0.81 AOC3 (0.49) LMNASMN1; SMN2AOC3SLC6A4SLC6A2
SCHEMBL12188470 0.79 BRD4 (0.50) LMNASMN1; SMN2AOC3SLC6A4SLC6A2
SCHEMBL12194482 0.79 GABBR2 (0.45) LMNASMN1; SMN2AOC3MAPTPOLB

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