SCHEMBL5082771

SCHEMBL5082771

CN1CCN(Cc2cc(C=CC(=O)N(C)Cc3cc4ccccc4n3C)cnc2N)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL5082745 1.00 FAAH (0.39) FAAHHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL1254167 0.99 FAAH (0.39) FAAHHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL1254161 0.99 FAAH (0.39) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL5082718 0.94 FAAH (0.38) FAAH
SCHEMBL5082706 0.94 FAAH (0.38) FAAH
SCHEMBL1254612 0.93 MEN1 (0.39) FAAH
SCHEMBL1254616 0.93 MEN1 (0.39) FAAH
Hydrochloric Acid SCHEMBL1253109 0.93 FAAH (0.37) FAAH
Hydrochloric Acid SCHEMBL1253105 0.93 FAAH (0.37) FAAH
SCHEMBL727092 0.88 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