SCHEMBL3140179

SCHEMBL3140179

O=C(O)N1CCC(c2nn(CC(F)(F)F)c3ccsc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 5/20 0.35
RBP4 P02753 3/20 0.35
PLA2G7 Q13093 1/20 0.33
MGLL Q99685 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
ERCC5 P28715 1/20 0.33
HTR3A P46098 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL2966522 0.86 CNR1 (0.45) FEN1CNR1
SCHEMBL13201237 0.82 CCR5 (0.36) FEN1ERCC5HTR3ACNR1
SCHEMBL27879693 0.68 RBP4 (0.47) RBP4
SCHEMBL2958107 0.67 CNR1 (0.44) FEN1CNR1
SCHEMBL6644012 0.63 HTR2C (0.40) RBP4
SCHEMBL22773231 0.62 CNR1 (0.44) RBP4CNR1
SCHEMBL4562941 0.62 DRD4 (0.46) RBP4
SCHEMBL1459053 0.61 TRPV1 (0.66) RBP4
SCHEMBL1664729 0.60 HTR2B (0.34) RBP4
SCHEMBL3680305 0.59 OPRM1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935887-B1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMA INC (US) 2010-01-13 EP disclosed
EP-1632483-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2008-10-29 EP disclosed
EP-1935887-A1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands Aventis Pharmaceuticals, Inc. (US) 2008-06-25 EP disclosed
EP-1632483-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals Inc. (US) 2006-03-08 EP disclosed