SCHEMBL7275933

SCHEMBL7275933

CC(C)CC[C@H](O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.47
METAP2 P50579 6/20 0.40
METAP1 P53582 5/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CTSD P07339 2/20 0.38
CPB2 Q96IY4 1/20 0.34

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
SCHEMBL7275926 1.00 REN (0.47) RENMETAP2METAP1PSEN1PSEN2
Hydrochloric Acid SCHEMBL7437801 0.98 REN (0.46) RENMETAP2METAP1PSEN1PSEN2
Hydrochloric Acid SCHEMBL7442290 0.98 REN (0.46) RENMETAP2METAP1PSEN1PSEN2
SCHEMBL7272512 0.90 REN (0.48) RENMETAP2METAP1PSEN1PSEN2
SCHEMBL7382023 0.84 REN (0.35) REN
SCHEMBL7279876 0.84 REN (0.55) RENMETAP2METAP1
SCHEMBL10520380 0.81 REN (0.43) RENMETAP2METAP1
SCHEMBL10727830 0.81 METAP1 (0.49) RENMETAP2METAP1
SCHEMBL6445733 0.81 REN (0.44) RENMETAP2METAP1
SCHEMBL7288187 0.81 REN (0.56) RENMETAP2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693619-A ENZYME INHIBITORS; ADMINISTERED TO TREAT CONGESTIVE HEART FAILURE AND HYPERTENSION BOEHRINGER INGELHEIM (CANADA), LTD. (CA) 1997-12-02 US claimed
EP-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 EP claimed
EP-0589445-B1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1997-01-15 EP claimed
US-5541163-A HYPOTENSIVE AGENTS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-07-30 US claimed
US-5523315-A N-(hydroxyethyl)butanediamide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-06-04 US claimed
WO-1994007846-A1 RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 WO claimed
WO-1994007845-A1 N-(HYDROXYETHYL)BUTANEDIAMIDE DERIVATIVES AS RENIN INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 WO claimed
EP-0589445-A1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP claimed
EP-0589446-A1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP claimed
EP-0882138-B1 STEREOSELECTIVE PREPARATION OF 2-SUBSTITUTED SUCCINIC DERIVATIVES BOEHRINGER INGELHEIM CA LTD (CA) 2000-07-05 EP disclosed
US-5808085-A CHEMICAL INTERMEDIATES FOR RENIN INHIBITING COMPOUNDS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-09-15 US disclosed
US-5693619-A ENZYME INHIBITORS; ADMINISTERED TO TREAT CONGESTIVE HEART FAILURE AND HYPERTENSION BOEHRINGER INGELHEIM (CANADA), LTD. (CA) 1997-12-02 US disclosed
EP-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 EP disclosed
EP-0589445-B1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1997-01-15 EP disclosed
US-5223489-A Treatment of ypertension and heart failure UJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-29 US disclosed
US-5142048-A Enzyme inhibitor; carbamoyl group-containing acids FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 US disclosed
US-4963530-A Renin inhibitor peptide compounds, a process for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-10-16 US disclosed
US-4921855-A New Histidyl amino acid derivatives, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-01 US disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP disclosed
EP-0283970-A2 New peptide compounds, a process for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-28 EP disclosed