SCHEMBL681303

SCHEMBL681303

C=C(C(C)C)[C@H](CCNC1CCOCC1)c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
KMT2A Q03164 1/20 0.36
FPR2 P25090 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HSD11B1 P28845 7/20 0.35
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NTSR1 P30989 1/20 0.34
OPRL1 P41146 1/20 0.32
PRCP P42785 3/20 0.32
KCNH2 Q12809 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
SCHEMBL680237 0.88 MEN1 (0.48) MEN1MITFKMT2AOPRL1
SCHEMBL680871 0.88 FPR2 (0.38) MEN1MITFKMT2AFPR2KDM1A
SCHEMBL681242 0.88 AKT1 (0.37) FPR2KDM1AMAOAMAOBHSD11B1
SCHEMBL14300654 0.85 FPR2 (0.39) MEN1MITFKMT2AFPR2KDM1A
SCHEMBL2739168 0.83 FPR2 (0.39) KMT2AFPR2KDM1AMAOAMAOB
SCHEMBL680798 0.78 FPR2 (0.39) FPR2KDM1AMAOAMAOBPOLB
SCHEMBL17803811 0.77 TSHR (0.38) HSD11B1POLB
SCHEMBL679786 0.76 MEN1 (0.48) MEN1MITFKMT2APOLBOPRL1
SCHEMBL681300 0.76 AKT3 (0.47) MEN1MITFKMT2AHSD11B1OPRL1
SCHEMBL681244 0.76 MEN1 (0.50) MEN1MITFKMT2APOLB

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