SCHEMBL5040974

SCHEMBL5040974

CCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1ccncn1.CCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)O.Nc1ccc(Cl)nn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.42
GPR132 Q9UNW8 3/20 0.38
CYP3A4 P08684 2/20 0.38
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
PSMB5 P28074 1/20 0.35
FFAR1 O14842 1/20 0.35
S1PR1 P21453 2/20 0.35
GLS O94925 1/20 0.35
PRKACA P17612 2/20 0.35
ROCK1 Q13464 2/20 0.35

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
SCHEMBL5040970 0.92 FAAH (0.41) FAAHGPR132CYP3A4MMEACE
SCHEMBL6469018 0.88 FAAH (0.47) FAAHGPR132CYP3A4MMEACE
SCHEMBL5040902 0.82 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6469284 0.76 GAA (0.47) FAAHGPR132MMEACECPA1
SCHEMBL6468835 0.76 MME (0.48) GPR132MMEACECPA1ACE2
SCHEMBL3902883 0.75 MME (0.56) GPR132MMEACECPA1ACE2
SCHEMBL5040900 0.74 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5042694 0.73 MME (0.43) GPR132MMEACECPA1ACE2
SCHEMBL5047012 0.72 GPR132 (0.43) GPR132MMEACECPA1ACE2
SCHEMBL5047006 0.71 S1PR1 (0.43) MMEACECPA1ACE2PSEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO disclosed