SCHEMBL7843748

SCHEMBL7843748

O=C(NC1CCCCC1)C(=O)C1CCCN1C(=O)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.60
FAP Q12884 2/20 0.54
GRM5 P41594 1/20 0.49
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
MET P08581 1/20 0.47
KDR P35968 1/20 0.47
MERTK Q12866 1/20 0.47
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GRM4 Q14833 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHX1 P07099 1/20 0.43
ACKR3 P25106 1/20 0.43
TSHR P16473 1/20 0.43
DGAT1 O75907 2/20 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
SCHEMBL9564104 0.82 EPHX2 (0.53) EPHX2FAPKDM4EALDH1A1MAPK1
SCHEMBL7852927 0.81 FAP (0.54) FAPKDM4EL3MBTL1ALDH1A1MAPK1
SCHEMBL7852243 0.80 FAP (0.49) EPHX2FAPALDH1A1ACKR3
SCHEMBL3168169 0.79 DGAT1 (0.58) EPHX2L3MBTL1ALDH1A1DGAT1
SCHEMBL3168186 0.79 DGAT1 (0.58) EPHX2L3MBTL1ALDH1A1DGAT1
SCHEMBL4924225 0.78 L3MBTL1 (0.50) EPHX2GRM5L3MBTL1DGAT1
SCHEMBL4924222 0.78 L3MBTL1 (0.50) EPHX2GRM5L3MBTL1DGAT1
SCHEMBL4927632 0.78 L3MBTL1 (0.53) EPHX2GRM5L3MBTL1DGAT1
SCHEMBL3175587 0.78 DGAT1 (0.54) EPHX2GRM5L3MBTL1ALDH1A1TSHR
SCHEMBL3178325 0.78 DGAT1 (0.54) EPHX2GRM5L3MBTL1ALDH1A1TSHR

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