SCHEMBL7853263

SCHEMBL7853263

N[C@@H](Cc1ccccc1)C(=O)N1CCCC1C(OC(=O)C(F)(F)F)C(=O)NC1CCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.48
DPP8 Q6V1X1 6/20 0.48
DPP9 Q86TI2 5/20 0.48
DPP7 Q9UHL4 5/20 0.48
FAP Q12884 3/20 0.48
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.43
F2 P00734 2/20 0.43
PRSS1 P07477 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
ACE P12821 1/20 0.41

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
SCHEMBL7854902 1.00 DPP4 (0.48) DPP4DPP8DPP9DPP7FAP
SCHEMBL7844108 1.00 DPP4 (0.48) DPP4DPP8DPP9DPP7FAP
SCHEMBL7853907 0.99 DPP4 (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL7855053 0.96 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL7843703 0.82 DPP4 (0.56) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL7844937 0.81 DPP4 (0.55) DPP4DPP8DPP9DPP7FAP
SCHEMBL7853344 0.74 KDM4E (0.36) DPP4DPP8KDM4E
SCHEMBL3700606 0.74 DPP4 (0.56) DPP4DPP8DPP9DPP7FAP
SCHEMBL353959 0.73 TDP1 (0.64) TDP1KDM4E
SCHEMBL6164081 0.73 TDP1 (0.64) TDP1KDM4E

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