SCHEMBL7293176

SCHEMBL7293176

C[C@H]1C[C@@H](C2OC(C)(C)N(C(=O)OC(C)(C)C)C2CC2CCCCC2)OC1=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2D6 P10635 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BACE1 P56817 2/20 0.31
CTSD P07339 1/20 0.31

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
SCHEMBL7293170 1.00 ACHE (0.32) ACHECHRM2CHRM1CYP2D6HSD17B10
SCHEMBL7293173 1.00 ACHE (0.32) ACHECHRM2CHRM1CYP2D6HSD17B10
SCHEMBL10528950 0.84 SPHK1 (0.35) BACE1CTSD
SCHEMBL9834933 0.83 MEN1 (0.32) BACE1CTSD
SCHEMBL10591603 0.83 BACE1 (0.31) BACE1CTSD
SCHEMBL10591597 0.83 BACE1 (0.31) BACE1CTSD
SCHEMBL7293841 0.83 MEN1 (0.32) BACE1CTSD
SCHEMBL10591602 0.83 BACE1 (0.31) BACE1CTSD
SCHEMBL7293850 0.83 MEN1 (0.32) BACE1CTSD
SCHEMBL7293845 0.83 MEN1 (0.32) BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346887-A Mixture of tripeptide renin inhibitor and steroid antiinflammatory agent ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
US-5268374-A Containing both amide and hydroxy groups ABBOTT LABORATORIES (US) 1993-12-07 US disclosed
US-5164388-A Hypotensive agents, treatment of congestive heart failure ABBOTT LABORATORIES (US) 1992-11-17 US disclosed
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed
EP-0439556-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
US-5036051-A Renin inhibitors ABBOTT LABORATORIES (US) 1991-07-30 US disclosed
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP disclosed
WO-1990004917-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-05-17 WO disclosed
EP-0365992-A1 Heterocyclic peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-05-02 EP disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed