SCHEMBL5082718

SCHEMBL5082718

CN(Cc1cc2ccccc2n1C)C(=O)C=Cc1cnc(N)c(CN2CCCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL5082706 1.00 FAAH (0.38) FAAHMEN1NPC1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL1253105 0.99 FAAH (0.37) FAAHMEN1NPC1ALDH1A1RAB9A
SCHEMBL1254616 0.99 MEN1 (0.39) FAAHMEN1NPC1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL1253109 0.99 FAAH (0.37) FAAHMEN1NPC1ALDH1A1RAB9A
SCHEMBL1254612 0.99 MEN1 (0.39) FAAHMEN1NPC1ALDH1A1RAB9A
SCHEMBL5082745 0.94 FAAH (0.39) FAAH
SCHEMBL5082771 0.94 FAAH (0.39) FAAH
Hydrochloric Acid SCHEMBL1254167 0.93 FAAH (0.39) FAAH
Hydrochloric Acid SCHEMBL1254161 0.93 FAAH (0.39) FAAH
SCHEMBL727092 0.89 TRPM8 (0.39)

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-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP claimed