SCHEMBL8637778

SCHEMBL8637778

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.47
KLK7 P49862 1/20 0.45
ACE P12821 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AVPR2 P30518 1/20 0.42
KLK5 Q9Y337 1/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
RIPK1 Q13546 1/20 0.41

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
SCHEMBL8633268 0.87 CNR1 (0.50) ACEKMT2AGAASMN1; SMN2
SCHEMBL5568044 0.81 MEN1 (0.45) ROCK2KLK7ACEMEN1KMT2A
SCHEMBL15473578 0.81 HCRTR1 (0.48) ROCK2KLK7MEN1KMT2AGAA
SCHEMBL8634319 0.80 GAA (0.45) GAASMN1; SMN2
SCHEMBL14905799 0.78 CXCR1 (0.49) ROCK2KLK7MEN1KMT2ACXCR1
SCHEMBL10071087 0.78 ACE (0.51) ACEKLK5
SCHEMBL5416477 0.77 ROCK2 (0.46) ROCK2KLK7ACEMEN1KMT2A
SCHEMBL15919528 0.76 ROCK2 (0.55) ROCK2GAAAVPR2
SCHEMBL7429992 0.76 ALDH1A1 (0.69) KLK7MEN1KMT2AGAASMN1; SMN2
SCHEMBL14905797 0.76 CXCR1 (0.47) ROCK2KLK7MEN1KMT2ACXCR1

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
US-5847155-A Aromatic pyrrolidine amide prolyl endopeptidase inhibitors PFIZER INC (US) 1998-12-08 US disclosed
EP-0536163-A1 AROMATIC PYRROLIDINE AND THIAZOLIDINE AMIDES PFIZER INC. (US) 1993-04-14 EP disclosed
WO-1991018891-A1 AROMATIC PYRROLIDINE AND THIAZOLIDINE AMIDES PFIZER INC. (US) 1991-12-12 WO disclosed