SCHEMBL5199030

SCHEMBL5199030

OCC1CCN(c2cccnn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.46
RIPK1 Q13546 1/20 0.45
SLC6A7 Q99884 1/20 0.44
GLS O94925 2/20 0.42
PDE4D Q08499 2/20 0.41
HIF1A Q16665 1/20 0.41
PDE2A O00408 1/20 0.40
PDE1B Q01064 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39

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
SCHEMBL12844313 0.84 RIPK1 (0.43) RIPK1SLC6A7GLSTRPV1DPP4
SCHEMBL3715603 0.81 RIPK1 (0.48) RIPK1SLC6A7GLSPDE4DTRPV1
SCHEMBL25059133 0.81 TRPV1 (0.43) PDE10ARIPK1SLC6A7GLSTRPV1
SCHEMBL8326977 0.79 PLD1 (0.57) PDE10AHIF1A
SCHEMBL14094520 0.78 NPC1 (0.52) RIPK1SLC6A7TRPV1
SCHEMBL2000100 0.78 HTR3E (0.54) RIPK1SLC6A7GLSTRPV1DPP4
SCHEMBL5802698 0.76 LMNA (0.60) RIPK1SLC6A7GLSPDE4DTRPV1
SCHEMBL9195108 0.75 PDE10A (0.44) PDE10APDE4DPDE2APDE1B
SCHEMBL31294135 0.75 DPP4 (0.45) PDE10ARIPK1SLC6A7GLSDPP4
SCHEMBL24928457 0.75 DPP4 (0.45) PDE10ARIPK1SLC6A7GLSDPP4

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-1799668-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2007-06-27 EP disclosed
WO-2006034338-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2006-03-30 WO disclosed