SCHEMBL70558

SCHEMBL70558

Cc1ccc(C#N)cc1OC1CN(C(=O)CNC(=O)c2cn(-c3cccnc3)nn2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.45
MIF P14174 1/20 0.38
GPR6 P46095 1/20 0.35
ACKR3 P25106 2/20 0.34
RIPK2 O43353 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
NAMPT P43490 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
KLKB1 P03952 1/20 0.33
GLS O94925 1/20 0.33
DDT P30046 1/20 0.33

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
SCHEMBL29385597 1.00 USP30 (0.45) USP30MIFGPR6ACKR3RIPK2
SCHEMBL29384706 0.93 USP30 (0.44) USP30MIFGPR6GPR119
SCHEMBL70155 0.93 USP30 (0.44) USP30MIFGPR6GPR119
SCHEMBL83343 0.87 MIF (0.38) USP30MIFACKR3RIPK2DDT
SCHEMBL29385002 0.81 SCD (0.47) USP30
SCHEMBL70138 0.81 SCD (0.47) USP30
SCHEMBL68333 0.80 USP30 (0.49) USP30GPR6GPR119NAMPT
SCHEMBL29385527 0.80 USP30 (0.49) USP30GPR6GPR119NAMPT
SCHEMBL70422 0.79 USP30 (0.48) USP30GPR6DGAT2
SCHEMBL70855 0.75 SCD (0.52)

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-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed