SCHEMBL22255228

SCHEMBL22255228

CC(N)(CO)C(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(CN4CCC(N)CC4)c(Cl)c3)c(=O)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.37
FAAH O00519 4/20 0.33
ACHE P22303 1/20 0.32
KCNH2 Q12809 1/20 0.32
MCHR1 Q99705 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
DGAT1 O75907 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL25531340 1.00 EPHX2 (0.37) EPHX2FAAHACHEKCNH2MCHR1
Hydrochloric Acid SCHEMBL22233842 0.99 EPHX2 (0.37) EPHX2FAAHACHEKCNH2MCHR1
Hydrochloric Acid SCHEMBL22233845 0.99 EPHX2 (0.37) EPHX2FAAHACHEKCNH2MCHR1
Hydrochloric Acid SCHEMBL30400981 0.99 EPHX2 (0.37) EPHX2FAAHACHEKCNH2MCHR1
SCHEMBL22233780 0.93 EPHX2 (0.36) EPHX2FAAHACHEKCNH2MCHR1
Hydrochloric Acid SCHEMBL30401168 0.92 EPHX2 (0.36) EPHX2FAAHACHEKCNH2MCHR1
Hydrochloric Acid SCHEMBL22233219 0.92 EPHX2 (0.36) EPHX2FAAHACHEKCNH2MCHR1
SCHEMBL25531588 0.92 GSK3B (0.34) EPHX2FAAHGSK3BDYRK1ATRPV1
SCHEMBL22255232 0.92 GSK3B (0.34) EPHX2FAAHGSK3BDYRK1ATRPV1
Hydrochloric Acid SCHEMBL22233296 0.91 GSK3B (0.33) FAAHGSK3BDYRK1ATRPV1

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
WO-2020150385-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed