SCHEMBL7274657

SCHEMBL7274657

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.60
CTSD P07339 1/20 0.60
CTSE P14091 1/20 0.60

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
SCHEMBL9512616 0.94 REN (0.61) RENCTSDCTSE
SCHEMBL9513094 0.87 REN (0.62) RENCTSDCTSE
SCHEMBL7297120 0.82 REN (0.63) RENCTSD
SCHEMBL7274775 0.82 REN (0.46) RENCTSDCTSE
SCHEMBL7277872 0.81 REN (0.44) RENCTSDCTSE
SCHEMBL9725818 0.81 REN (0.53) RENCTSDCTSE
SCHEMBL9739264 0.81 REN (0.53) RENCTSDCTSE
SCHEMBL9725825 0.81 REN (0.53) RENCTSDCTSE
SCHEMBL9725812 0.81 REN (0.53) RENCTSDCTSE
SCHEMBL10408937 0.80 REN (0.57) RENCTSDCTSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417698-B1 Amino acid derivatives having renin-inhibiting activity, process for their preparation, agents containing them, and their use HOECHST AG (DE) 1996-03-13 EP disclosed
US-5374731-A Treatment of high blood pressure, congestive heart failure and viral disorders HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-20 US disclosed
US-5360791-A Renin-inhibiting aminodiol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-01 US disclosed
EP-0370454-B1 Renin-inhibiting amino diol derivatives HOECHST AG (DE) 1994-04-20 EP disclosed
EP-0519434-A2 Heterocyclic compounds with renin inhibiting properties, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-23 EP disclosed
EP-0417698-A2 Amino acid derivatives having renin-inhibiting activity, process for their preparation, agents containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-20 EP disclosed
EP-0394853-A1 Dipeptide-derivatives with enzym-inhibiting activity HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-31 EP disclosed
EP-0370454-A2 Renin-inhibiting amino diol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP disclosed