SCHEMBL6664759

SCHEMBL6664759

CC(C)(C)OC(=O)N[C@@H](C(Cc1ccccc1)c1ccccc1)[C@@H](O)CCc1ncn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
KLK5 Q9Y337 3/20 0.40
CTSK P43235 6/20 0.40
CTSS P25774 3/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
ACE P12821 1/20 0.39
ADRB2 P07550 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38

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
SCHEMBL6669325 0.80 ATM (0.41) ATMKLK5CTSKCTSSCTSL
SCHEMBL9378904 0.79 CTSS (0.41) ATMKLK5CTSKCTSSCTSL
SCHEMBL6663482 0.78 KLK5 (0.41) ATMKLK5CTSKCTSSCTSL
SCHEMBL6666632 0.78 ALDH1A1 (0.40) ATMKLK5CTSKCTSSCTSL
SCHEMBL6666961 0.77 ALDH1A1 (0.39) ATMKLK5CTSKCTSSCTSL
SCHEMBL9373974 0.77 PTPRB (0.39) ATMKLK5CTSKCTSSCTSL
SCHEMBL9379291 0.77 ATM (0.39) ATMKLK5CTSKCTSSCTSL
SCHEMBL6668504 0.77 ALDH1A1 (0.39) ATMKLK5CTSKCTSSCTSL
SCHEMBL9373933 0.77 CTSK (0.39) ATMKLK5CTSKCTSSCTSL
SCHEMBL9372986 0.77 ATM (0.38) ATMKLK5CTSKCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450795-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-09-01 EP claimed
WO-2003047576-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-06-12 WO claimed
EP-1450795-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
WO-2003047576-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-06-12 WO disclosed