SCHEMBL7400921

SCHEMBL7400921

O=C(C1CCCN1)C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
DPP4 P27487 6/20 0.39
DPP8 Q6V1X1 4/20 0.38
DPP9 Q86TI2 4/20 0.38
HTR2C P28335 1/20 0.38
FAP Q12884 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
PRCP P42785 1/20 0.36
GLI1 P08151 1/20 0.34
MEN1 O00255 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN4A P35499 1/20 0.34

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
Hydrochloric Acid SCHEMBL7397745 0.98 NOS2 (0.39) NOS2NOS3NOS1DPP4DPP8
SCHEMBL9774279 0.83 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP8
SCHEMBL7192624 0.83 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP8
SCHEMBL28793427 0.80 NOS2 (0.41) NOS2NOS3NOS1DPP4DPP8
SCHEMBL20686199 0.77 NOS2 (0.45) NOS2NOS3NOS1DPP4DPP8
SCHEMBL800609 0.75 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP8
SCHEMBL14296385 0.75 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP8
SCHEMBL860138 0.75 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP8
SCHEMBL27859825 0.73 NOS2 (0.42) NOS2NOS3NOS1DPP4DPP8
Proline SCHEMBL6986151 0.72 MEN1 (0.42) NOS2NOS3NOS1DPP4DPP8

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-0731788-B1 PROLYL ENDOPEPTIDASE INHIBITORS MERRELL PHARMA INC (US) 2002-09-11 EP disclosed
US-5661167-A MEMORY ENHANCEMENT, PREVENTING OR SLOWING THE AFFECT OF AMNESIA OR MEMORY DEFICITS MERRELL PHARMACEUTICALS INC. (US) 1997-08-26 US disclosed
EP-0731788-A1 PROLYL ENDOPEPTIDASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1996-09-18 EP disclosed
WO-1995015310-A1 PROLYL ENDOPEPTIDASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1995-06-08 WO disclosed