SCHEMBL6644012

SCHEMBL6644012

O=C(O)N1CCC(c2nccc3sccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
DRD2 P14416 9/20 0.39
HTR2A P28223 9/20 0.39
DRD3 P35462 9/20 0.39
RBP4 P02753 1/20 0.37
PDE10A Q9Y233 2/20 0.36
MAPK7 Q13164 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
NAMPT P43490 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7600035 0.83 CHRM4 (0.50) MAPT
SCHEMBL6642596 0.76 HTT (0.49) DRD2HTR2ADRD3SMN1; SMN2
SCHEMBL5236782 0.76 HTR2C (0.62) HTR2CDRD2HTR2ADRD3NAMPT
SCHEMBL6276568 0.76 NPC1 (0.46) DRD2DRD3PDE10AMAPK7NPC1
SCHEMBL6638468 0.75 HTR2C (0.52) HTR2CDRD2HTR2ADRD3NPC1
SCHEMBL4562941 0.73 DRD4 (0.46) RBP4NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9571941 0.70 HTR1A (0.44) HTR2CDRD2HTR2A
SCHEMBL1303713 0.70 PDE10A (0.39) PDE10ANPC1RAB9A
SCHEMBL9984684 0.70 PDE10A (0.39) PDE10A
SCHEMBL9988573 0.70 PDE10A (0.43) PDE10A

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
EP-1078928-B1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-05-12 EP disclosed
EP-1078928-A1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed