SCHEMBL7844779

SCHEMBL7844779

O=C(NC1CCCCC1)C(=O)C1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
ACE P12821 10/20 0.47
ACE2 Q9BYF1 6/20 0.47
CTSL P07711 1/20 0.45
CTSS P25774 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
SCHEMBL7845289 0.88 ACE (0.59) TSHRACEACE2
SCHEMBL7855038 0.86 KDM4E (0.58) RAB9AALDH1A1ACEACE2
SCHEMBL7845476 0.84 ALDH1A1 (0.50) HPGDRAB9AALDH1A1MEN1CYP1A2
SCHEMBL7852243 0.83 FAP (0.49) ALDH1A1ACEACE2
SCHEMBL7852721 0.83 ACE (0.58) ALDH1A1MEN1KMT2AACEACE2
SCHEMBL7844672 0.82 HTRA1 (0.52) TSHRACEACE2
SCHEMBL7853354 0.82 TACR1 (0.50) ACEACE2
SCHEMBL7853840 0.82 EPHX2 (0.48) ACEACE2
SCHEMBL7856866 0.82 ACE (0.55) TSHRACEACE2
SCHEMBL7843734 0.81 NPC1 (0.51) RAB9AALDH1A1TSHRKMT2ANPC1

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