SCHEMBL7280394

SCHEMBL7280394

CCOC(=O)C(CCc1ccccc1)N[C@@H](Cc1ccc(OCC)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.62
RAB9A P51151 2/20 0.54
GAA P10253 1/20 0.54
ACE P12821 3/20 0.48
SIGMAR1 Q99720 1/20 0.48
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
PPARG P37231 1/20 0.47
KLKB1 P03952 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45

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
SCHEMBL9733367 1.00 MME (0.62) MMERAB9AGAAACESIGMAR1
SCHEMBL7280398 1.00 MME (0.62) MMERAB9AGAAACESIGMAR1
SCHEMBL11008763 0.92 MME (0.68) MMEACEKMT2ASMN1; SMN2CPA1
SCHEMBL9864316 0.91 RAB9A (0.52) MMERAB9AGAAACESIGMAR1
SCHEMBL9733346 0.91 RAB9A (0.52) MMERAB9AGAAACESIGMAR1
SCHEMBL9864327 0.91 RAB9A (0.52) MMERAB9AGAAACESIGMAR1
SCHEMBL7321485 0.86 MME (0.59) MMEACESMN1; SMN2CPA1ACE2
SCHEMBL10798595 0.84 GAA (0.52) MMERAB9AGAAACEKMT2A
SCHEMBL7432462 0.81 MME (0.68) MMEACECPA1ACE2
SCHEMBL3710422 0.81 MME (0.64) MMEACECPA1ACE2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5101039-A Carboxyindoles, hypotensive agents, inhibitors of angiotensin converting enzyme HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
US-5061722-A Hypotensive agents; e.g. ramipril HOECHST AG (DE) 1991-10-29 US disclosed
US-5053519-A Hypotensive agents; diuretics; vasodilation HOECHST AG (DE) 1991-10-01 US disclosed
US-5008400-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
US-4933361-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-12 US disclosed
US-4879403-A AMINATION, CRYSTALLIZATION HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-07 US disclosed
US-4727160-A HYPOTENSIVE INTERMEDIATES HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-23 US disclosed
US-4714708-A Derivatives of cis, endo-2-azabicyclo[5.3.0]decane-3-carboxylic acid, and their use for treating hypertension HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-22 US disclosed
EP-0111873-B1 DERIVATIVES OF CIS, ENDO-2-AZABICYCLO-(5.3.0)-DECANE-3-CARBOXYLIC ACID, PROCESS FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-07 EP disclosed
EP-0170775-A1 Derivatives of bicyclic amino acids, processes for their preparation, agents containing them and their use as well as bicyclic amino acids as intermediates and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1986-02-12 EP disclosed
EP-0150263-A1 Derivatives of cis, endo-2-azabicyclo-[3.3.0]-octane-3-carboxylic acid, process for their preparation, medicaments containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1985-08-07 EP disclosed
EP-0090362-A2 Derivatives of cycloalka(c)pyrrole-carboxylic acids, process for their preparation, agents containing them and their use, as well as cycloalka(c)pyrrole-carboxylic acids as intermediates, and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1983-10-05 EP disclosed
EP-0084164-A2 Derivatives of bicyclic amino acids, process for their preparation, agents containing them and their use, as well as bicyclic amino acids as intermediates, and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-27 EP disclosed
EP-0079022-A2 Derivatives of cis, endo-2-azabicyclo-(3.3.0)-octane-3-carboxylic acid, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-18 EP disclosed