SCHEMBL462003

SCHEMBL462003

CC(C)(C)OC(=O)N[C@@]1(Cc2ccccc2)CNC[C@@H]1c1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
AKT1 P31749 2/20 0.34
GRIN2B Q13224 1/20 0.34
CTSS P25774 3/20 0.34
CTSL P07711 3/20 0.34
CTSB P07858 2/20 0.34
EPHX2 P34913 1/20 0.34
CTSK P43235 1/20 0.34
RORC P51449 1/20 0.34
ATM Q13315 1/20 0.33
PKM P14618 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
SCHEMBL462095 0.93 RORC (0.36) IDO1CA12CA1CA7CA14
SCHEMBL1726610 0.91 KMT2A (0.37) IDO1CA12CA1CA7CA14
SCHEMBL1720734 0.91 KMT2A (0.40) IDO1CA12CA1CA7CA14
SCHEMBL459152 0.91 CTSS (0.36) CA12CA1CA7CA14KMT2A
SCHEMBL459500 0.90 HTT (0.34) CA12CA1CA7CA14KMT2A
SCHEMBL457233 0.89 KMT2A (0.32) IDO1CA12CA1CA7CA14
SCHEMBL2013227 0.85 CA12 (0.34) CA12CA1CA7CA14KMT2A
SCHEMBL2016334 0.83 SLC6A2 (0.39) KMT2AL3MBTL1
SCHEMBL2012019 0.82 KDM1A (0.39) CA12CA1CA7CA14KMT2A
SCHEMBL458294 0.81 CA12 (0.39) IDO1CA12CA1CA7CA14

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed