SCHEMBL8265802

SCHEMBL8265802

CC(C)C[C@H]1CCN(C(C)C(=O)O)C1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.55
MME P08473 1/20 0.46
BACE1 P56817 3/20 0.37
DPP4 P27487 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
PIK3CD O00329 1/20 0.33
MAPT P10636 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
PPM1B O75688 1/20 0.33

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
SCHEMBL4797908 1.00 ACE (0.55) ACEMMEBACE1DPP4MEN1
SCHEMBL4797895 1.00 ACE (0.55) ACEMMEBACE1DPP4MEN1
SCHEMBL4798432 0.83 BACE1 (0.41) ACEMMEBACE1POLBMAPT
SCHEMBL4798440 0.83 BACE1 (0.41) ACEMMEBACE1POLBMAPT
SCHEMBL4798449 0.83 BACE1 (0.41) ACEMMEBACE1POLBMAPT
SCHEMBL9252361 0.81 PIK3CD (0.38) ACEMMEBACE1DPP4POLB
SCHEMBL2079186 0.80 ACE (0.51) ACEBACE1MAPTITGB3ITGA2B
SCHEMBL2079182 0.80 ACE (0.51) ACEBACE1MAPTITGB3ITGA2B
SCHEMBL8266792 0.80 ACE (0.51) ACEBACE1MAPTITGB3ITGA2B
SCHEMBL5114366 0.79 MME (0.45) ACEMMEBACE1PPM1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388007-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-7388007-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
WO-2006026204-A2 NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-09 WO disclosed