SCHEMBL4773114

SCHEMBL4773114

CC(CN1CCN(C)CC1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CTSK P43235 8/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CYP2D6 P10635 1/20 0.39
PREP P48147 1/20 0.39
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
POLB P06746 1/20 0.38
CTSS P25774 2/20 0.38
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 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
SCHEMBL12420756 0.88 CTSK (0.48) CA1CA2CA7CTSKCTSL
SCHEMBL7510900 0.88 CTSK (0.48) CA1CA2CA7CTSKCTSL
SCHEMBL18534563 0.88 CTSK (0.48) CA1CA2CA7CTSKCTSL
SCHEMBL28669035 0.86 CTSK (0.47) CA1CA2CA7CTSKCTSL
SCHEMBL21125085 0.86 CTSK (0.47) CA1CA2CA7CTSKCTSL
SCHEMBL4824903 0.86 CTSK (0.47) CA1CA2CA7CTSKCTSL
SCHEMBL4703911 0.86 CTSK (0.47) CA1CA2CA7CTSKCTSL
Ammonia Solution, Strong SCHEMBL4701521 0.86 CTSK (0.47) CA1CA2CA7CTSKCTSL
SCHEMBL18215140 0.86 CTSK (0.47) CA1CA2CA7CTSKCTSL
SCHEMBL4497363 0.85 PIK3CD (0.53) CA1CA2CA7CTSKCTSL

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
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP disclosed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP disclosed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO disclosed