SCHEMBL27728545

SCHEMBL27728545

O=C(O)N1CCC[C@H](n2cnc(-c3ccc(F)cn3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.41
SCD5 Q86SK9 1/20 0.41
KDM2B Q8NHM5 2/20 0.40
KDM4C Q9H3R0 6/20 0.39
KDM4A O75164 5/20 0.39
GRM5 P41594 2/20 0.39
KDM2A Q9Y2K7 5/20 0.38
KDM6B O15054 4/20 0.38
KDM5C P41229 4/20 0.38
KDM3A Q9Y4C1 3/20 0.38
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 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
SCHEMBL28769966 0.87 KDM2B (0.41) KDM2BKDM4CKDM4AGRM5KDM2A
SCHEMBL27708035 0.87 KDM2B (0.41) KDM2BKDM4CKDM4AGRM5KDM2A
SCHEMBL28774040 0.87 KDM2B (0.41) KDM2BKDM4CKDM4AGRM5KDM2A
SCHEMBL27728466 0.81 DRD2 (0.51) KDM2BKDM4CKDM4AKDM2AKDM6B
SCHEMBL27728541 0.81 KDM4A (0.43) KDM4CKDM4AKDM2AKDM6BKDM5C
SCHEMBL27730855 0.80 KDM2B (0.38) KDM2BKDM4CKDM4AKDM2AKDM6B
SCHEMBL27728464 0.79 KDM2B (0.44) KDM2BKDM4CKDM4AKDM2AKDM6B
SCHEMBL27670316 0.79 GRM5 (0.41) KDM2BGRM5POLBNPC1
SCHEMBL27710693 0.79 KDM4C (0.39) KDM2BKDM4CKDM4AKDM2AKDM6B
SCHEMBL27860541 0.79 KDM4C (0.39) KDM2BKDM4CKDM4AKDM2AKDM6B

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
CN-101228155-A Substituted * oxadiazole derivatives as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2008-07-23 CN disclosed