SCHEMBL5717825

SCHEMBL5717825

O=C(O)NC1CCN(C(=O)C(c2cc(-c3cccc(Cl)c3)ccc2Cl)C2(O)CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.40
CNR2 P34972 9/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MGLL Q99685 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
EPHX2 P34913 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
SCHEMBL4369293 0.85 CNR1 (0.44) CNR1CNR2MEN1KMT2AMAPT
SCHEMBL3988967 0.84 CNR1 (0.43) CNR1CNR2MEN1KMT2A
SCHEMBL4378816 0.79 CNR1 (0.46) CNR1CNR2MEN1KMT2AEPHX2
SCHEMBL3986351 0.79 SLC6A2 (0.42) CNR1CNR2MEN1KMT2A
SCHEMBL3989382 0.79 SLC6A2 (0.42) CNR1CNR2MEN1KMT2A
SCHEMBL3984639 0.79 SLC6A2 (0.42) CNR1CNR2MEN1KMT2A
SCHEMBL3987300 0.79 SLC6A2 (0.42) CNR1CNR2MEN1KMT2A
SCHEMBL3983902 0.78 LMNA (0.38) CNR1CNR2MEN1KMT2ANPC1
SCHEMBL4362932 0.77 DPP4 (0.42)
SCHEMBL3983897 0.77 KMT2A (0.37) CNR1CNR2MEN1KMT2AKDM5B

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-1687288-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-08-09 EP disclosed
WO-2005037809-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed