SCHEMBL4778295

SCHEMBL4778295

COc1ccc(N2CC3C(C2)C3N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
OPRM1 P35372 1/20 0.43
TSHR P16473 3/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LTA4H P09960 1/20 0.41
LMNA P02545 1/20 0.41
G6PC1 P35575 1/20 0.41
HRH2 P25021 1/20 0.41
HTR1A P08908 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4781031 0.82 GAA (0.40) MAPTGAATSHRLMNAHTR1A
SCHEMBL4774183 0.81 NPC1 (0.37) SIGMAR1MAPTMEN1KMT2AL3MBTL1
SCHEMBL4776044 0.81 RORC (0.41) CNR2
SCHEMBL4780839 0.78 SLC6A2 (0.44) SIGMAR1LMNA
SCHEMBL4778958 0.78 ADRA1D (0.48) SIGMAR1MAPTOPRM1MAPK1
SCHEMBL4779434 0.78 ADRA1D (0.48) SIGMAR1MAPTOPRM1MAPK1
SCHEMBL4775240 0.76 MEN1 (0.41) SIGMAR1MAPTTSHRMEN1KMT2A
SCHEMBL23199732 0.75 SIGMAR1 (0.59) SIGMAR1MAPTMEN1KMT2ALMNA
SCHEMBL18484463 0.75 KMT2A (0.41) SIGMAR1TSHRMEN1KMT2A
SCHEMBL14820140 0.75 KMT2A (0.41) SIGMAR1TSHRMEN1KMT2A

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-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed