SCHEMBL8031349

SCHEMBL8031349

CCCCCCCCC=CCCCCCCCCC1=NCCN1CCCO

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL195693 0.93 FAAH (0.38) FAAHMGLLEPHX2
SCHEMBL217512 0.93 FAAH (0.38) FAAHMGLLEPHX2
SCHEMBL196016 0.93 FAAH (0.38) FAAHMGLLEPHX2
SCHEMBL325970 0.93 FAAH (0.38) FAAHMGLLEPHX2
SCHEMBL195694 0.93 FAAH (0.38) FAAHMGLLEPHX2
Hydrochloric Acid SCHEMBL2207986 0.92 FAAH (0.37) FAAHMGLLEPHX2
SCHEMBL10005979 0.92 MGLL (0.41) FAAHMGLLEPHX2
SCHEMBL10005983 0.92 MGLL (0.41) FAAHMGLLEPHX2
SCHEMBL8032050 0.92 LMNA (0.36)
SCHEMBL8035792 0.92 LMNA (0.36)

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
US-6042750-A TETRAALKYLAMMONIUM HALIDE, ALKYLENEDIAMINE, ALIPHATIC HYDROCARBON HYDROXY IMIDAZOLINE, POLYOXYETHYLENE GLYCOL ESTERS AND AMINES, TRIALKANOLAMINE, AND AMINE OXYALKYLATE; PIPES Docter, Joan (US) 2000-03-28 US disclosed