SCHEMBL2229068

SCHEMBL2229068

CC(C)COC(=O)N1CC(N)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
HDAC2 Q92769 1/20 0.42
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
P2RX4 Q99571 1/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS1 P23219 1/20 0.36
APEX1 P27695 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL3400107 0.86 RAB9A (0.47) RAB9AHDAC2JAK2JAK1MEN1
SCHEMBL21417415 0.86 RAB9A (0.42) RAB9AHDAC2CHRNB2CHRNA4JAK2
SCHEMBL793727 0.84 RAB9A (0.51) RAB9AHDAC2JAK2JAK1TSHR
SCHEMBL5568829 0.84 RAB9A (0.43) RAB9AHDAC2CHRNB2CHRNA4JAK2
SCHEMBL1692767 0.83 RAB9A (0.45) RAB9AHDAC2CHRNB2CHRNA4JAK2
SCHEMBL14243062 0.83 CHRNB2 (0.54) RAB9AHDAC2CHRNB2CHRNA4JAK2
SCHEMBL793658 0.82 RAB9A (0.49) RAB9AJAK2JAK1MEN1KMT2A
SCHEMBL19308678 0.81 HDAC2 (0.44) RAB9AHDAC2CHRNB2CHRNA4JAK2
SCHEMBL20002117 0.80 RAB9A (0.43) RAB9AHDAC2CHRNB2CHRNA4JAK2
SCHEMBL15703162 0.80 RAB9A (0.43) RAB9AHDAC2CHRNB2CHRNA4JAK2

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-2011091410-A1 TRPV4 ANTAGONISTS GLAXOS SMITHKLINE LLC (US) 2011-07-28 WO disclosed