Sugi Predict

Sugi Predict / Compounds / SCHEMBL8634979

SCHEMBL8634979

SCHEMBL8634979

O=CC1CCCN1C(=O)C1Cc2ccccc2N1C(=O)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 6/20 0.48
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL9537217 0.86 PREP (0.48) PREPNPC1RAB9AL3MBTL1
SCHEMBL8637353 0.85 PREP (0.44) PREP
Z-Pro-Prolinal SCHEMBL1219336 0.83 PREP (0.67) PREPL3MBTL1
Z-Pro-Prolinal SCHEMBL1380758 0.83 PREP (0.67) PREPL3MBTL1
Z-Pro-Prolinal SCHEMBL7272251 0.83 PREP (0.67) PREPL3MBTL1
SCHEMBL8639445 0.81 PREP (0.65) PREPL3MBTL1
SCHEMBL9964899 0.80 NPC1 (0.53) NPC1RAB9AL3MBTL1TMEM97SIGMAR1
SCHEMBL2195118 0.80 PREP (0.56) PREPNPC1RAB9AL3MBTL1
SCHEMBL2198909 0.80 PREP (0.56) PREPNPC1RAB9AL3MBTL1
SCHEMBL2198876 0.80 PREP (0.56) PREPNPC1RAB9AL3MBTL1

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 2 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
WO-1991018891-A1 AROMATIC PYRROLIDINE AND THIAZOLIDINE AMIDES PFIZER INC. (US) 1991-12-12 — — WO disclosed