SCHEMBL5046992

SCHEMBL5046992

CCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)O.CCNc1cncc(C(N)=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 3/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
PSMB5 P28074 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 4/20 0.37
POLB P06746 1/20 0.37
PTGES O14684 1/20 0.37
HTT P42858 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
CTSD P07339 1/20 0.36
MEN1 O00255 1/20 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
SCHEMBL5041097 0.91 MME (0.42) GPR132MMEACECPA1ACE2
SCHEMBL5047012 0.90 GPR132 (0.43) GPR132MMEACECPA1ACE2
SCHEMBL5047006 0.84 S1PR1 (0.43) MMEACECPA1ACE2PSMB5
SCHEMBL3902883 0.81 MME (0.56) GPR132MMEACECPA1ACE2
SCHEMBL5041103 0.80 MME (0.43) GPR132MMEACECPA1ACE2
SCHEMBL5214799 0.77 GPR132 (0.50) GPR132MMEACECPA1ACE2
SCHEMBL5042693 0.77 MME (0.42) GPR132MMEACECPA1ACE2
SCHEMBL5044936 0.76 PSEN1 (0.46)
SCHEMBL5041099 0.75 S1PR1 (0.43) MMEACECPA1ACE2PSMB5
SCHEMBL4064892 0.74 CTBP2 (0.54) GPR132ALDH1A1POLBMEN1KMT2A

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