SCHEMBL1083385

SCHEMBL1083385

NC(C(=O)O)C(=O)c1cn(-c2cccnc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 7/20 0.43
DPP4 P27487 1/20 0.42
MIF P14174 1/20 0.40
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
CYP2A6 P11509 1/20 0.36
HSD11B1 P28845 1/20 0.36
NOTUM Q6P988 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL71218 0.82 ESRRA (0.47) ESRRADPP4MIFGRM5GRM1
SCHEMBL30398916 0.81 ESRRA (0.46) ESRRADPP4MIFGRM5GRM1
SCHEMBL27768446 0.81 ESRRA (0.51) ESRRAMIFGRM5GRM1CA1
SCHEMBL12571597 0.75 CA12 (0.55) ESRRAMIFGRM5GRM1CA1
SCHEMBL71676 0.73 RIPK1 (0.49) MIF
SCHEMBL2113115 0.72 NPC1 (0.51) ESRRACA1CA2CA4CA9
SCHEMBL369905 0.70 MIF (0.44) DPP4MIFGRM5GRM1CA1
SCHEMBL24784760 0.69 ESRRA (0.55) ESRRACA1CA2CA4CA9
SCHEMBL28340294 0.69 NOTUM (0.68) DPP4MIFCA1CA2CA9
SCHEMBL368478 0.68 DDT (0.47) MIFGRM5GRM1

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-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed