SCHEMBL18322979

SCHEMBL18322979

O=CCCN1CCC(Sc2ccc(-c3ccc4cccnc4c3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.42
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
FASN P49327 4/20 0.36
CHRNA7 P36544 3/20 0.34
DRD4 P21917 1/20 0.34
MAPK14 Q16539 1/20 0.34
DRD2 P14416 1/20 0.33
MET P08581 1/20 0.33
HTR7 P34969 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL18322904 0.82 GSK3B (0.42) GSK3BCARM1PRMT6FASNDRD2
SCHEMBL18322982 0.78 GSK3B (0.43) GSK3BFASNDRD2HTR7
SCHEMBL18318878 0.78 GSK3B (0.49) GSK3BFASNMAPK14
Hydrochloric Acid SCHEMBL18318321 0.77 GSK3B (0.48) GSK3BFASNMAPK14
SCHEMBL18331129 0.76 GSK3B (0.47) GSK3BFASNCHRNA7MAPK14
SCHEMBL4440481 0.75 CARM1 (0.61) CARM1PRMT6DRD4DRD2
SCHEMBL7501576 0.67 KCNH2 (0.49) DRD2HTR7
SCHEMBL18322946 0.67 HTR7 (0.37) GSK3BCARM1PRMT6HTR7
SCHEMBL3726615 0.66 NPC1 (0.68) GSK3B
SCHEMBL29485612 0.66 NPC1 (0.68) GSK3B

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