SCHEMBL9542379

SCHEMBL9542379

CCc1ccc(C2CCC(/C=C/Cl)CC2)nc1.Cc1ccc(C2CCC(/C=C/Cl)CC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM5A P29375 1/20 0.32
MTOR P42345 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
DGAT1 O75907 1/20 0.31
LYN P07948 1/20 0.31
SRC P12931 1/20 0.31

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
SCHEMBL8963382 0.93 PDE10A (0.37) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8963379 0.93 PDE10A (0.37) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8964261 0.89 OPRM1 (0.40) PDE10ANPC1RAB9ASMN1; SMN2OPRM1
SCHEMBL8964263 0.89 OPRM1 (0.40) PDE10ANPC1RAB9ASMN1; SMN2OPRM1
SCHEMBL8962756 0.83 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL8962748 0.83 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL8963100 0.81 RAB9A (0.41) NPC1RAB9ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL8963105 0.81 RAB9A (0.41) NPC1RAB9ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL12151773 0.80 PDE10A (0.43) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8963194 0.80 CSF1R (0.38) PDE10AL3MBTL1IDO1CSF1R

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
WO-1993007234-A1 HALOVINYL-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-15 WO disclosed