SCHEMBL7275536

SCHEMBL7275536

NC(=O)C(CCc1ccccc1)N1CCC[C@]1(C(=O)O)C(=O)[C@@H](N)CCCCNC(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 4/20 0.36
DPP7 Q9UHL4 4/20 0.36
DPP9 Q86TI2 3/20 0.36
DPP4 P27487 2/20 0.36
OPRD1 P41143 1/20 0.35
MLYCD O95822 2/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
BACE1 P56817 1/20 0.34
PLAU P00749 2/20 0.33
PLAUR Q03405 2/20 0.33
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33
POLB P06746 1/20 0.33
EPHX2 P34913 2/20 0.33
OPRK1 P41145 1/20 0.32
ANPEP P15144 1/20 0.32
EPHX1 P07099 1/20 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
SCHEMBL3370863 0.94 DPP8 (0.37) DPP8DPP7DPP9DPP4OPRD1
SCHEMBL6619629 0.90 DPP8 (0.38) DPP8DPP7DPP9DPP4OPRD1
SCHEMBL3369565 0.90 DPP8 (0.38) DPP8DPP7DPP9DPP4OPRD1
SCHEMBL7266833 0.87 DPP8 (0.41) DPP8DPP7DPP9DPP4OPRD1
SCHEMBL5551891 0.84 DPP8 (0.36) DPP8DPP7DPP9DPP4OPRD1
SCHEMBL10882947 0.83 DPP8 (0.38) DPP8DPP7DPP9DPP4FPR3
SCHEMBL10882807 0.81 DPP8 (0.37) DPP8DPP7DPP9DPP4FPR3
SCHEMBL10879772 0.81 DPP8 (0.38) DPP8DPP7DPP9DPP4FPR3
SCHEMBL11191255 0.81 OPRK1 (0.41) DPP8DPP7DPP9DPP4BACE1
SCHEMBL11195192 0.80 DPP7 (0.51) DPP8DPP7DPP9DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0336368-B1 N2-(1-carboxy-3-phenylpropyl)-L-lysine derivative and process of producing lysinopril using the compound KANEGAFUCHI CHEMICAL IND (JP) 1995-02-01 EP disclosed