SCHEMBL11757341

SCHEMBL11757341

CCc1cnc(C2CCCCC2)c(CC)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
CTSK P43235 3/20 0.33
CTSS P25774 2/20 0.33
PDE10A Q9Y233 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
KCNJ6 P48051 1/20 0.31
KCNJ3 P48549 1/20 0.31
HRH2 P25021 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CACNA2D1 P54289 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
PSMB5 P28074 1/20 0.30
LCK P06239 1/20 0.30

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
SCHEMBL3839159 0.74 PDE10A (0.34) PDE10A
SCHEMBL251411 0.69 MAPKAPK2 (0.36) PDE10A
SCHEMBL6166412 0.68 KMT2A (0.43)
SCHEMBL23707218 0.67 PDE10A (0.34) PDE10A
SCHEMBL23108890 0.67 PDE10A (0.34) PDE10A
SCHEMBL25146924 0.67 PDE10A (0.34) PDE10A
SCHEMBL6167461 0.67 HRH2 (0.36) PTGS1PTGS2HRH2HRH3
SCHEMBL30482992 0.67 DGAT1 (0.41)
SCHEMBL31046825 0.67 DGAT1 (0.36) PDE10A
SCHEMBL293166 0.66 MAPKAPK2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4029626-A Polyurethane composition having easy-reentry property COMMUNICATIONS TECHNOLOGY CORPORATION (US) 1977-06-14 US disclosed