SCHEMBL5041103

SCHEMBL5041103

CC(C)Nc1cncc(N)n1.CCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
GPR132 Q9UNW8 3/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGES O14684 1/20 0.41
FFAR1 O14842 3/20 0.41
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
PSMB5 P28074 4/20 0.40
POLB P06746 1/20 0.40
CTSD P07339 1/20 0.39
NTSR1 P30989 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB9 P28065 1/20 0.37
PSMB10 P40306 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
SCHEMBL5047012 0.90 GPR132 (0.43) MMEACECPA1ACE2GPR132
SCHEMBL5041097 0.90 MME (0.42) MMEACECPA1ACE2GPR132
SCHEMBL5041099 0.86 S1PR1 (0.43) MMEACECPA1ACE2ALDH1A1
SCHEMBL3902883 0.82 MME (0.56) MMEACECPA1ACE2GPR132
SCHEMBL5046992 0.80 GPR132 (0.42) MMEACECPA1ACE2GPR132
SCHEMBL5214799 0.78 GPR132 (0.50) MMEACECPA1ACE2GPR132
SCHEMBL5047006 0.76 S1PR1 (0.43) MMEACECPA1ACE2ALDH1A1
SCHEMBL5042694 0.76 MME (0.43) MMEACECPA1ACE2GPR132
SCHEMBL4064892 0.75 CTBP2 (0.54) GPR132ALDH1A1POLBNTSR1
SCHEMBL6469284 0.74 GAA (0.47) MMEACECPA1ACE2GPR132

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