SCHEMBL16803203

SCHEMBL16803203

COCCN1CCN(CI)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
GBA1 P04062 2/20 0.35
NPC1 O15118 1/20 0.34
MAP4K4 O95819 1/20 0.34
NAMPT P43490 1/20 0.34
KDM1A O60341 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
ACHE P22303 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
DRD3 P35462 1/20 0.31
SLC29A1 Q99808 1/20 0.31

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
SCHEMBL4893194 0.87 HSD11B1 (0.47) HSD11B1GBA1NPC1MAP4K4KDM1A
SCHEMBL6057032 0.87
SCHEMBL8149011 0.87 HSD11B1 (0.47) HSD11B1GBA1NPC1MAP4K4KDM1A
SCHEMBL16938964 0.81 HSD11B1 (0.41) HSD11B1GBA1NPC1MAP4K4NAMPT
SCHEMBL16622424 0.81 HSD11B1 (0.41) HSD11B1GBA1NPC1MAP4K4NAMPT
SCHEMBL3318840 0.81 HSD11B1 (0.45) HSD11B1GBA1NPC1MAP4K4NAMPT
SCHEMBL84800 0.80 HSD11B1 (0.43) HSD11B1GBA1NPC1KDM4EALDH1A1
SCHEMBL793514 0.78 DRD2 (0.44) HSD11B1GBA1NPC1MEN1KMT2A
SCHEMBL10930283 0.78 HSD11B1 (0.42) HSD11B1GBA1NPC1KDM4EALDH1A1
SCHEMBL21664675 0.78 HSD11B1 (0.42) HSD11B1GBA1TDP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376502-B1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-06-17 EP disclosed