SCHEMBL432647

SCHEMBL432647

CC(CN1CC(Oc2nc(Cl)c(F)cc2NC(=O)c2ccnc(Cl)c2)C1)Oc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.38
P2RX3 P56373 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
ACACB O00763 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
SCHEMBL432153 0.82 GSK3B (0.35) SCN9ASIGMAR1GSK3AGSK3B
SCHEMBL432154 0.82 GSK3B (0.35) SCN9ASIGMAR1GSK3AGSK3B
SCHEMBL434418 0.81 RXFP1 (0.38) SCN9ADRD2DRD3GSK3AGSK3B
SCHEMBL433487 0.75 SCN9A (0.40) SCN9AGSK3AGSK3B
SCHEMBL431256 0.73 MCHR1 (0.34) SCN9ASIGMAR1GSK3AGSK3B
SCHEMBL431257 0.73 MCHR1 (0.34) SCN9ASIGMAR1GSK3AGSK3B
SCHEMBL432744 0.72 KDM4E (0.39) SCN9ADRD3
SCHEMBL432745 0.70 SCN9A (0.36) SCN9AGSK3AGSK3B
SCHEMBL435039 0.70 MCHR1 (0.34) SCN9ASIGMAR1GSK3AGSK3B
SCHEMBL435038 0.70 MCHR1 (0.34) SCN9ASIGMAR1GSK3AGSK3B

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
WO-2012012366-A1 PESTICIDAL 3-(ARYLOXY)AZACYCLOALKANES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-26 WO claimed
WO-2012012366-A1 PESTICIDAL 3-(ARYLOXY)AZACYCLOALKANES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-26 WO disclosed