SCHEMBL7843734

SCHEMBL7843734

O=C(CSc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)C(=O)NC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 1/20 0.51
ACE P12821 7/20 0.44
ACE2 Q9BYF1 6/20 0.44
EPHX2 P34913 1/20 0.43
LTA4H P09960 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL7843759 0.94 NPC1 (0.45) NPC1RAB9AKMT2AACEACE2
SCHEMBL7855038 0.85 KDM4E (0.58) RAB9AACEACE2ALDH1A1KDM4E
SCHEMBL7845289 0.85 ACE (0.59) ACEACE2TSHR
SCHEMBL7853840 0.85 EPHX2 (0.48) ACEACE2EPHX2LTA4H
SCHEMBL7855090 0.84 CTSL (0.46) KMT2AACEACE2ALDH1A1KDM4E
SCHEMBL7854121 0.84 NPC1 (0.51) NPC1RAB9AKMT2AACEACE2
SCHEMBL7852721 0.82 ACE (0.58) KMT2AACEACE2ALDH1A1
SCHEMBL7844525 0.82 SIGMAR1 (0.48) ACEACE2EPHX2LTA4HTSHR
SCHEMBL7844672 0.82 HTRA1 (0.52) ACEACE2TSHR
SCHEMBL7844779 0.81 HPGD (0.48) NPC1RAB9AKMT2AACEACE2

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-5756763-A ENZYME INHIBITOR ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1998-05-26 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