SCHEMBL7266809

SCHEMBL7266809

N#C[C@H](CCc1ccccc1)OC(=O)[C@@H](N)CCCCNC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 4/20 0.42
DPP7 Q9UHL4 4/20 0.42
DPP4 P27487 3/20 0.42
DPP9 Q86TI2 2/20 0.42
ANPEP P15144 1/20 0.40
CTSC P53634 1/20 0.40
MLYCD O95822 2/20 0.39
POLB P06746 2/20 0.39
MMP8 P22894 2/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7275820 1.00 DPP8 (0.42) DPP8DPP7DPP4DPP9ANPEP
Proline SCHEMBL7378488 0.88 DPP4 (0.43) DPP8DPP7DPP4DPP9ANPEP
SCHEMBL5353931 0.85 ANPEP (0.42) DPP8DPP7DPP4DPP9ANPEP
SCHEMBL3373748 0.85 ANPEP (0.42) DPP8DPP7DPP4DPP9ANPEP
SCHEMBL7276985 0.84 ANPEP (0.41) DPP8DPP7DPP4DPP9ANPEP
SCHEMBL7266839 0.81 DPP4 (0.53) DPP8DPP7DPP4DPP9
SCHEMBL3369068 0.81 SMN1; SMN2 (0.41) DPP8DPP7ANPEPMLYCDPOLB
SCHEMBL5349213 0.81 SMN1; SMN2 (0.41) DPP8DPP7ANPEPMLYCDPOLB
SCHEMBL9022605 0.81 SMN1; SMN2 (0.41) DPP8DPP7ANPEPMLYCDPOLB
SCHEMBL5348541 0.81 SMN1; SMN2 (0.41) DPP8DPP7ANPEPMLYCDPOLB

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
JP-1254651-A None JP disclosed
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
EP-0336368-A2 N2-(1-carboxy-3-phenylpropyl)-L-lysine derivative and process of producing lysinopril using the compound KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-10-11 EP disclosed
JP-H01254651-A N2-(1-CARBOXY-3-PHENYLPROPYL)-L-LYSIN DERIVATIVE AND PRODUCTION OF LYSINOPURYL USING SAID COMPOUND KANEGAFUCHI CHEM IND CO LTD 1989-10-11 JP disclosed