SCHEMBL10654701

SCHEMBL10654701

C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(F)C(N)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
MME P08473 5/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
NOS2 P35228 3/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
SLC7A5 Q01650 1/20 0.33
LTA4H P09960 3/20 0.32

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
SCHEMBL10653648 0.97 DPP4 (0.40) DPP4DPP8DPP9MMEACE
SCHEMBL10658481 0.88 GLO1 (0.39) DPP4DPP8DPP9MMEACE
SCHEMBL10656395 0.83 DPP4 (0.35) DPP4DPP8DPP9MMEACE
SCHEMBL10654935 0.81 DPP4 (0.37) DPP4DPP8DPP9NOS2NOS3
SCHEMBL10661674 0.78 DPP4 (0.40) DPP4DPP8DPP9MMEACE
SCHEMBL29569099 0.78 DPP4 (0.61) DPP4DPP8DPP9MMEACE
SCHEMBL31031060 0.78 DPP4 (0.61) DPP4DPP8DPP9MMEACE
SCHEMBL2807373 0.78 DPP4 (0.61) DPP4DPP8DPP9MMEACE
SCHEMBL31338627 0.78 NOD1 (0.45) DPP4DPP8DPP9MMEACE
SCHEMBL10625373 0.76 DPP8 (0.50) DPP4DPP8DPP9MMEACE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4730006-A BACTERICIDES MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-08 US claimed
US-4730006-A BACTERICIDES MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-08 US disclosed