SCHEMBL6463897

SCHEMBL6463897

CN(CCCCc1ccccc1)C(=O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.54
CES1 P23141 3/20 0.54
SIGMAR1 Q99720 5/20 0.53
MLYCD O95822 1/20 0.52
ALOX5 P09917 1/20 0.50
GGPS1 O95749 1/20 0.48
FDPS P14324 1/20 0.48

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
SCHEMBL7985986 0.95 MLYCD (0.54) FAAHCES1SIGMAR1MLYCDALOX5
SCHEMBL13181406 0.89 MLYCD (0.64) FAAHCES1MLYCD
SCHEMBL8751616 0.82 SIGMAR1 (0.61) SIGMAR1ALOX5
SCHEMBL16658701 0.79 SIGMAR1 (0.62) SIGMAR1ALOX5FDPS
SCHEMBL16658702 0.79 SIGMAR1 (0.62) SIGMAR1ALOX5FDPS
SCHEMBL16658700 0.79 SIGMAR1 (0.62) SIGMAR1ALOX5FDPS
SCHEMBL16658699 0.79 SIGMAR1 (0.62) SIGMAR1ALOX5FDPS
SCHEMBL16658721 0.79 SIGMAR1 (0.62) SIGMAR1ALOX5FDPS
SCHEMBL2316926 0.78 RIPK1 (0.65) MLYCD
SCHEMBL15766120 0.78 SIGMAR1 (0.61) SIGMAR1ALOX5FDPS

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed