SCHEMBL7447491

SCHEMBL7447491

CC(C)CC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.51
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47

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
SCHEMBL10444182 0.92 REN (0.53) RENCTSSCTSK
SCHEMBL10444184 0.92 REN (0.53) RENCTSSCTSK
SCHEMBL10606451 0.91 REN (0.59) RENCTSSCTSK
SCHEMBL7274022 0.85 CTSS (0.50) RENCTSSCTSK
SCHEMBL9358862 0.85 CTSS (0.50) RENCTSSCTSK
SCHEMBL7274017 0.85 CTSS (0.50) RENCTSSCTSK
SCHEMBL12991841 0.83 REN (0.49) RENCTSSCTSK
SCHEMBL10609342 0.83 REN (0.46) RENCTSSCTSK
SCHEMBL7430523 0.83 CTSS (0.52) RENCTSSCTSK
SCHEMBL10608789 0.82 REN (0.46) RENCTSSCTSK

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 5 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-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 US disclosed
US-5036051-A Renin inhibitors ABBOTT LABORATORIES (US) 1991-07-30 US disclosed
US-4927807-A RENIN INHIBITING AMIDES ABBOTT LABORATORIES (US) 1990-05-22 US disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 EP disclosed