SCHEMBL7846923

SCHEMBL7846923

O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1C(O)C(=O)NC1CCCCC1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.51
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
PREP P48147 1/20 0.45
FAP Q12884 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MC4R P32245 1/20 0.45
ECE1 P42892 1/20 0.45
ACE2 Q9BYF1 5/20 0.45
C3AR1 Q16581 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
SCHEMBL7851592 0.91 ALDH1A1 (0.54) ACEALDH1A1KDM4EACE2
SCHEMBL7845308 0.86 C3AR1 (0.50) ACEALDH1A1KDM4EC3AR1
SCHEMBL7856866 0.85 ACE (0.55) ACEACE2
SCHEMBL7853586 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EACE2
SCHEMBL7853614 0.84 PKM (0.53) ACEALDH1A1KDM4EACE2
SCHEMBL7844295 0.84 PKM (0.53) ACEALDH1A1KDM4EACE2
SCHEMBL7843767 0.84 PKM (0.53) ACEALDH1A1KDM4EACE2
SCHEMBL7855242 0.84 KDM4E (0.63) ACEALDH1A1KDM4EACE2
SCHEMBL7852961 0.84 HTRA1 (0.50) ACEALDH1A1KDM4EACE2
SCHEMBL7844123 0.83 PKM (0.54) ACEALDH1A1ACE2

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