SCHEMBL4780839

SCHEMBL4780839

FC(F)(F)c1ccc(N2CC3C(C2)C3N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
BCHE P06276 4/20 0.41
ACHE P22303 4/20 0.41
BACE1 P56817 4/20 0.41
CHRM4 P08173 1/20 0.40
NOTUM Q6P988 1/20 0.40
CHRM2 P08172 3/20 0.40
LMNA P02545 1/20 0.39
CHRM1 P11229 1/20 0.38
MTOR P42345 1/20 0.38
KCNH2 Q12809 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL4774183 0.86 NPC1 (0.37) SIGMAR1
SCHEMBL4781031 0.85 GAA (0.40) BCHEACHEBACE1LMNA
SCHEMBL4776176 0.81 FFAR4 (0.40) SLC6A2SLC6A4BCHEACHEBACE1
SCHEMBL4776044 0.78 RORC (0.41) SLC6A2SLC6A4BCHE
SCHEMBL4778295 0.78 SIGMAR1 (0.46) LMNASIGMAR1
SCHEMBL4781028 0.78 KDM4E (0.43) NOTUM
SCHEMBL4775240 0.78 MEN1 (0.41) CHRM2LMNACHRM1SIGMAR1
SCHEMBL4779333 0.77 CHRM4 (0.39) CHRM4CHRM2CHRM1
SCHEMBL4780315 0.76 BPTF (0.43) SLC6A2BACE1LMNA
SCHEMBL23578325 0.75 BCHE (0.53) SLC6A2SLC6A4BCHEACHEBACE1

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