SCHEMBL10598902

SCHEMBL10598902

CCCCCCCCC=CCCCCCCCC1=NCCN1CCNCCN1CCN=C1CCCCCCCC=CCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.36
TRPV1 Q8NER1 1/20 0.36
PPARA Q07869 1/20 0.35
MGLL Q99685 2/20 0.35
EPHX2 P34913 2/20 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
SCHEMBL17833430 0.94 EPHX2 (0.33) FAAHTRPV1PPARAMGLLEPHX2
SCHEMBL10005979 0.89 MGLL (0.41) FAAHTRPV1MGLLEPHX2
SCHEMBL9220992 0.89 MGLL (0.38) FAAHTRPV1MGLLEPHX2
SCHEMBL10005983 0.89 MGLL (0.41) FAAHTRPV1MGLLEPHX2
SCHEMBL29172210 0.88 FAAH (0.37) FAAHEPHX2
SCHEMBL10579933 0.86 ACE2 (0.38)
SCHEMBL1029410 0.86 ACE2 (0.38)
SCHEMBL10578535 0.86 ACE2 (0.38)
SCHEMBL10623639 0.86 PPARA (0.32) FAAHPPARAMGLLEPHX2
SCHEMBL195694 0.85 FAAH (0.38) FAAHMGLLEPHX2

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-0165960-B1 ANTITUMOUR PHARMACEUTICAL COMPOSITIONS AND PROCESS FOR PREPARING THE SAME KOVACS, Adam (HU) 1989-04-26 EP disclosed