SCHEMBL1846809

SCHEMBL1846809

NC(=O)c1ccnc(-c2cc(F)c(F)c(F)c2C2CCN(Cc3ccc(-c4ccc(F)cc4)cc3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.42
GRM2 Q14416 5/20 0.42
KDM4C Q9H3R0 2/20 0.41
KDM4A O75164 1/20 0.41
KDM5A P29375 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
MAPK14 Q16539 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
ACHE P22303 4/20 0.39
GSK3B P49841 4/20 0.39
BCHE P06276 3/20 0.39
GSK3A P49840 1/20 0.39
CDK9 P50750 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL12482191 0.90 KDM4C (0.40) KDM4CKDM4AKDM5AKDM5BACHE
SCHEMBL1847418 0.88 PRKAA2 (0.44) PRKAA2GRM2KDM4CKDM4AKDM5A
SCHEMBL1035443 0.77 AKT1 (0.41) PRKAA2GRM2KDM4CKDM4AKDM5A
SCHEMBL1844021 0.76 WNK1 (0.43) OPRK1
SCHEMBL1725767 0.76 GSK3B (0.45) ACHEGSK3BBCHE
SCHEMBL1726693 0.75 MCHR1 (0.38) ACHEGSK3BBCHECDK9
SCHEMBL1846811 0.75 MCHR1 (0.47) ACHEGSK3BBCHE
SCHEMBL12482193 0.74 OPRM1 (0.42) OPRM1ACHE
SCHEMBL12482196 0.73 MCHR1 (0.37) GRM2ACHEGSK3BBCHE
SCHEMBL1031736 0.73 STAT3 (0.41) PRKAA2OPRM1OPRK1

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-2324010-A1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERIDINE COMPOUNDS Syngenta Participations AG (CH) 2011-05-25 EP disclosed