SCHEMBL4585701

SCHEMBL4585701

CCc1nc2c(C)cc(C)nc2n1-c1ccc(CCOC(=O)Nc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
MGLL Q99685 1/20 0.43

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
SCHEMBL1624082 0.84 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL27580022 0.81 MAPK1 (0.46)
SCHEMBL1623485 0.80 NPC1 (0.45)
SCHEMBL1626293 0.79 PTGER4 (0.50)
SCHEMBL7011815 0.79 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL1625180 0.78 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL1624854 0.77 FAAH (0.39) AGTR1AGTR2
SCHEMBL1623477 0.76 GPR4 (0.43)
SCHEMBL6467774 0.76
SCHEMBL3953485 0.76 GPR4 (0.45)

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
EP-1972616-A1 Derivatives of arylalkylcarbamates, process for their preparation and therapeutic application thereof Sanofi-Aventis (FR) 2008-09-24 EP disclosed