SCHEMBL7855090

SCHEMBL7855090

O=C(COc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)C(=O)NC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ACE P12821 6/20 0.45
ACE2 Q9BYF1 5/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7844525 0.85 SIGMAR1 (0.48) ACEACE2
SCHEMBL7856200 0.85 PKM (0.53) ACEACE2
SCHEMBL7845347 0.85 PKM (0.53) ACEACE2
SCHEMBL7844481 0.85 PKM (0.53) ACEACE2
SCHEMBL7855038 0.85 KDM4E (0.58) ACEACE2ALDH1A1KDM4E
SCHEMBL7845289 0.85 ACE (0.59) ACEACE2
SCHEMBL7853840 0.85 EPHX2 (0.48) ACEACE2
SCHEMBL7851676 0.84 PKM (0.54) ACEACE2
SCHEMBL7853918 0.84 CTSL (0.48) CTSLPOLBMEN1KMT2AALDH1A1
SCHEMBL7843734 0.84 NPC1 (0.51) KMT2AACEACE2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709373-B1 PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU (JP) 2001-10-17 EP disclosed
US-5965556-A KETO-ACID AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHODS FOR INHIBITING THE ACTIVITY OF SERINE PROTEASE OR THIOL PROTEASE BY ADMINISTERING THE DERIVATIVE TO A MAMMAL; ALZHEIMER'S DISEASE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1999-10-12 US disclosed
US-5756763-A ENZYME INHIBITOR ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1998-05-26 US disclosed
EP-0709373-A1 NOVEL PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1996-05-01 EP disclosed