SCHEMBL6558174

SCHEMBL6558174

N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)C(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
LAP3 P28838 2/20 0.44
ANPEP P15144 2/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
MMP8 P22894 3/20 0.43
SLC15A1 P46059 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
OPRK1 P41145 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 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
SCHEMBL6558171 1.00 RIPK1 (0.46) RIPK1LAP3ANPEPRNPEPDNPEP
SCHEMBL7423810 0.89 LTA4H (0.57) LAP3
SCHEMBL7807967 0.84 LAP3 (0.43) LAP3ANPEPRNPEPDNPEPSLC15A1
Hydrochloric Acid SCHEMBL7348250 0.83 LAP3 (0.44) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL7412834 0.82 SLC15A1 (0.50) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL7412831 0.82 SLC15A1 (0.50) LAP3ANPEPRNPEPDNPEPSLC15A1
Hydrochloric Acid SCHEMBL6558239 0.81 CYP1A2 (0.47) LAP3ANPEPRNPEPDNPEPSLC15A1
Hydrochloric Acid SCHEMBL6558386 0.79 HRH4 (0.45) LAP3ANPEPRNPEPDNPEPSLC15A1
Trifluoroacetic Acid SCHEMBL17106970 0.78 LAP3 (0.60) LAP3ANPEPRNPEPDNPEPMMP8
Trifluoroacetic Acid SCHEMBL17106974 0.78 LAP3 (0.60) LAP3ANPEPRNPEPDNPEPMMP8

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-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
US-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 EP disclosed