SCHEMBL18322882

SCHEMBL18322882

O=CN1CCC(Oc2cccc(-c3cnc4ccccc4c3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
CSNK1G2 P78368 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNB3 Q05901 1/20 0.46
BIRC5 O15392 1/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
PRKCZ Q05513 1/20 0.42
CYP2A6 P11509 1/20 0.40
EPHX2 P34913 1/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39

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
SCHEMBL18318859 0.89 CA12 (0.44) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL30497909 0.89 CA12 (0.44) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
Hydrochloric Acid SCHEMBL28550768 0.88 CA12 (0.43) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL18322956 0.86 PRMT5 (0.47) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL18318270 0.84 FASN (0.47) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL18318089 0.81 PIK3CA (0.54) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL22269750 0.77 PDGFRB (0.44) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL28559991 0.77 CA12 (0.46) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL18322929 0.76 CHRNB1 (0.42) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL18319268 0.76 FASN (0.46) MAP4K4PRKCZEPHX2PIK3CDPIK3CA

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-3310441-A1 1, 4-SUBSTITUTED PIPERIDINE DERIVATIVES Cephalon, Inc. (US) 2018-04-25 EP disclosed
WO-2016205633-A1 1, 4-SUBSTITUTED PIPERIDINE DERIVATIVES CEPHALON, INC. (US) 2016-12-22 WO disclosed