SCHEMBL14878281

SCHEMBL14878281

COC1CCC(N2CCC(=O)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKZF2 Q9UKS7 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CA P42336 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
DAO P14920 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
CYP2D6 P10635 1/20 0.31
ABCB1 P08183 1/20 0.31
TACR1 P25103 1/20 0.31
KCNH2 Q12809 1/20 0.31
PDE7A Q13946 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL121604 0.83 L3MBTL3 (0.34) HRH3KCNH2
SCHEMBL602034 0.81 HSD11B1 (0.35) KMT2ATACR1MAPK1
SCHEMBL602035 0.81 HSD11B1 (0.35) KMT2ATACR1MAPK1
Hydrochloric Acid SCHEMBL3665053 0.81 L3MBTL3 (0.33) KMT2AHRH3KCNH2MAPK1
SCHEMBL4788247 0.80 CHRM2 (0.34) KMT2APIK3CAHRH3
SCHEMBL4788242 0.80 CHRM2 (0.34) KMT2APIK3CAHRH3
SCHEMBL10203554 0.79 HRH3 (0.33) HRH3CYP2D6KCNH2MAPK1
SCHEMBL606461 0.79 HRH3 (0.33) HRH3CYP2D6KCNH2MAPK1
SCHEMBL14042280 0.79 DPP4 (0.36) NPC1RAB9AKMT2AHRH3CYP2D6
SCHEMBL4748656 0.79 DPP4 (0.36) NPC1RAB9AKMT2AHRH3CYP2D6

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
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed