SCHEMBL7855232

SCHEMBL7855232

O=C(NC1CCCCCC1)C(=O)C1CCCN1C(=O)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAP Q12884 1/20 0.46
FAAH O00519 1/20 0.46
EPHX1 P07099 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DRD4 P21917 4/20 0.43
SLC6A12 P48065 1/20 0.43
SLC6A13 Q9NSD5 1/20 0.43
ACKR3 P25106 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PREP P48147 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
SCHEMBL7843881 1.00 FAP (0.46) FAPFAAHEPHX1KDM4EMAPK1
SCHEMBL9564104 0.86 EPHX2 (0.53) FAPEPHX1KDM4EMAPK1NPC1
SCHEMBL7853236 0.84 PKM (0.60) EPHX1KDM4EMAPK1NPC1
SCHEMBL7852927 0.81 FAP (0.54) FAPKDM4EMAPK1NPC1RAB9A
SCHEMBL7844672 0.80 HTRA1 (0.52) DRD4SLC6A12SLC6A13
SCHEMBL5740768 0.80 ALDH1A1 (0.57) NPC1RAB9AALDH1A1
SCHEMBL2476769 0.80 ALDH1A1 (0.57) NPC1RAB9AALDH1A1
SCHEMBL31313411 0.80 ALDH1A1 (0.57) NPC1RAB9AALDH1A1
SCHEMBL7854610 0.78 METAP2 (0.45) FAAHEPHX1NPC1RAB9ADRD4
SCHEMBL7853208 0.78 METAP2 (0.45) FAAHEPHX1NPC1RAB9ADRD4

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 3 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