SCHEMBL2170857

SCHEMBL2170857

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1Cc1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EPHX2 P34913 2/20 0.39
MPO P05164 2/20 0.37
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
BACE1 P56817 2/20 0.33
HSD11B1 P28845 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CA12 O43570 2/20 0.32
CA2 P00918 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 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
SCHEMBL2169612 0.88 HSD11B1 (0.34) MEN1KMT2AEPHX2TSHRHSD11B1
SCHEMBL2170813 0.86 PTGS1 (0.38) MEN1KMT2ATSHRACHEHSD11B1
SCHEMBL2168659 0.85 P2RX7 (0.34) KDM4ETSHRHSD11B1ALDH1A1CA12
SCHEMBL2168703 0.85 P2RX7 (0.40) MEN1KMT2AKDM4ECYP2D6TSHR
SCHEMBL2168978 0.85 EPHX2 (0.40) MEN1KMT2AEPHX2KDM4ECYP2D6
SCHEMBL2169125 0.85 HSD11B1 (0.33) EPHX2HSD11B1SIRT1
SCHEMBL2169766 0.83 GRM2 (0.35) BRD4HSD11B1TACR1
SCHEMBL2169964 0.83 USP2 (0.43) MEN1KMT2AKDM4ECYP2D6TSHR
SCHEMBL2170753 0.83 ACHE (0.40) CYP2D6TSHRACHEALDH1A1CA12
SCHEMBL2168576 0.82 NPSR1 (0.41) MEN1KMT2AKDM4ECYP2D6HSD11B1

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
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP disclosed