SCHEMBL10993294

SCHEMBL10993294

N#Cc1cccc(N2CC(CCl)C(Cl)(Cl)C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.52
GRM2 Q14416 2/20 0.44
FADS1 O60427 2/20 0.44
DRD2 P14416 6/20 0.41
DRD3 P35462 5/20 0.41
KCNH2 Q12809 3/20 0.41
NOTUM Q6P988 1/20 0.40
DRD4 P21917 2/20 0.40
METAP2 P50579 1/20 0.39
ALOX5 P09917 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37

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
SCHEMBL10988131 0.80 GRM2 (0.41) GRM2METAP2
SCHEMBL9735938 0.78 AR (0.42) GRM2DRD2DRD3KCNH2NOTUM
SCHEMBL10987526 0.74 TSHR (0.37) DRD2DRD3KCNH2NOTUMMETAP2
SCHEMBL10973921 0.73 NSD2 (0.47) NSD2GRM2FADS1DRD2DRD3
SCHEMBL16705239 0.71 NSD2 (0.64) NSD2GRM2FADS1DRD2DRD3
SCHEMBL8196697 0.68 NSD2 (0.41) NSD2GRM2FADS1DRD2DRD3
SCHEMBL3559706 0.67 NSD2 (0.58) NSD2GRM2FADS1DRD2DRD3
SCHEMBL10988404 0.66 GRM2 (0.39) GRM2
SCHEMBL8103621 0.66 NSD2 (0.50) NSD2GRM2FADS1DRD2DRD3
SCHEMBL10652687 0.66 DRD2 (0.41) GRM2DRD2DRD3KCNH2NOTUM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4505737-A HALOGENATED PHENYLPYRROLIDONE AND HALOALKYLPHOSPHONIC ACID STAUFFER CHEMICAL COMPANY (US) 1985-03-19 US disclosed
US-4428767-A A PYRROLIDONE AND A CYCLOHEXENEDIONE STAUFFER CHEMICAL COMPANY (US) 1984-01-31 US disclosed
US-4416684-A PYRROLIDONE AND M-UREIDOPHENYL CARBAMATE STAUFFER CHEMICAL COMPANY (US) 1983-11-22 US disclosed
EP-0015453-B1 SYNERGISTIC HERBICIDAL COMPOSITIONS AND METHOD FOR CONTROLLING UNDESIRABLE VEGETATION STAUFFER CHEMICAL COMPANY (US) 1981-11-04 EP disclosed
US-4263038-A 3-AMINO-TRIAZOLE AND A PYRROLIDONE STAUFFER CHEMICAL COMPANY (US) 1981-04-21 US disclosed
EP-0015453-A2 Synergistic herbicidal compositions and method for controlling undesirable vegetation STAUFFER CHEMICAL COMPANY (US) 1980-09-17 EP disclosed
US-4210589-A CYCLIZATION STAUFFER CHEMICAL COMPANY (US) 1980-07-01 US disclosed
US-4110105-A Aromatic N-substituted halo-substituted-2-pyrrolidinones and their utility as herbicides STAUFFER CHEMICAL COMPANY (US) 1978-08-29 US disclosed