SCHEMBL7852243

SCHEMBL7852243

O=C(NC1CCCCC1)C(=O)C1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.49
CAPN1 P07384 2/20 0.46
ACE P12821 9/20 0.46
ACE2 Q9BYF1 6/20 0.46
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ACKR3 P25106 1/20 0.45

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 0.87 SIGMAR1 (0.48) FAPCAPN1ACEACE2EPHX2
SCHEMBL7845289 0.87 ACE (0.59) ACEACE2
SCHEMBL7844351 0.85 FAP (0.47) FAPACEACE2ALDH1A1
SCHEMBL7855038 0.85 KDM4E (0.58) ACEACE2ALDH1A1
SCHEMBL7856866 0.84 ACE (0.55) ACEACE2
SCHEMBL7853586 0.84 ALDH1A1 (0.49) CAPN1ACE2EPHX2ALDH1A1ACKR3
SCHEMBL7844779 0.83 HPGD (0.48) ACEACE2ALDH1A1
SCHEMBL7855090 0.82 CTSL (0.46) ACEACE2ALDH1A1
SCHEMBL7852721 0.82 ACE (0.58) ACEACE2ALDH1A1
SCHEMBL7844672 0.82 HTRA1 (0.52) ACEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709373-B1 PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU (JP) 2001-10-17 EP claimed
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 claimed
EP-0709373-A1 NOVEL PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1996-05-01 EP claimed
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