SCHEMBL7331191

SCHEMBL7331191

C[C@H](NC(CCCCNC(=O)OCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 8/20 0.68
▸ LMNA P02545 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ DPP4 P27487 1/20 0.55
▸ DPP8 Q6V1X1 1/20 0.55
▸ DPP9 Q86TI2 1/20 0.55
▸ DPP7 Q9UHL4 1/20 0.55
▸ FOLH1 Q04609 1/20 0.50
▸ PREP P48147 2/20 0.49
▸ ITGB3 P05106 1/20 0.49
▸ ITGA2B P08514 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.49

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
SCHEMBL7331201 1.00 ACE (0.68) ACELMNASMN1; SMN2DPP4DPP8
SCHEMBL11028861 0.93 ACE (0.73) ACELMNASMN1; SMN2DPP4DPP8
SCHEMBL7325248 0.93 ACE (0.73) ACELMNASMN1; SMN2DPP4DPP8
SCHEMBL11028854 0.93 ACE (0.73) ACELMNASMN1; SMN2DPP4DPP8
SCHEMBL7325241 0.93 ACE (0.73) ACELMNASMN1; SMN2DPP4DPP8
SCHEMBL7398813 0.89 ACE (0.72) ACELMNASMN1; SMN2DPP4DPP8
SCHEMBL9439247 0.86 ACE (0.53) ACELMNASMN1; SMN2DPP4DPP8
SCHEMBL9439237 0.86 ACE (0.53) ACELMNASMN1; SMN2DPP4DPP8
SCHEMBL10770751 0.85 ITGB3 (0.54) ACELMNASMN1; SMN2DPP4DPP8
SCHEMBL10482923 0.85 DPP8 (0.61) ACELMNADPP4DPP8DPP9

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-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 — — US disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 — — US disclosed
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