SCHEMBL2776534

SCHEMBL2776534

O=C(O)N(Cc1ccccc1)C1CCNCC1O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.55
GBA1 P04062 1/20 0.45
SLC6A2 P23975 8/20 0.45
SLC6A4 P31645 8/20 0.45
KCNH2 Q12809 2/20 0.45
SLC6A3 Q01959 4/20 0.44
SLC18A3 Q16572 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.41
AGER Q15109 2/20 0.40

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
SCHEMBL2776529 1.00 CTSD (0.55) CTSDGBA1SLC6A2SLC6A4KCNH2
SCHEMBL2534991 0.86 CTSD (0.68) CTSDGBA1SLC6A2SLC6A4SLC6A3
SCHEMBL2534993 0.86 CTSD (0.68) CTSDGBA1SLC6A2SLC6A4SLC6A3
SCHEMBL3880578 0.86 CTSD (0.68) CTSDGBA1SLC6A2SLC6A4SLC6A3
SCHEMBL1976152 0.85 CTSD (0.52) CTSDSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6604042 0.85 CTSD (0.52) CTSDSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL1976153 0.85 CTSD (0.52) CTSDSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL15407540 0.85 CTSD (0.52) CTSDSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL1976155 0.85 CTSD (0.52) CTSDSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL1957769 0.85 HSD11B1 (0.45) CTSDSLC6A2SLC6A4KCNH2SLC6A3

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
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed