SCHEMBL7445593

SCHEMBL7445593

C=C(CC(O)C(N)CC1CCCCC1)C(=O)NCC(C)(C)CN(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.40
METAP2 P50579 4/20 0.37
METAP1 P53582 3/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
Hydrochloric Acid SCHEMBL7443012 0.99 REN (0.39) RENMETAP2METAP1SIGMAR1
SCHEMBL9831790 0.83 REN (0.44) RENMETAP2METAP1
SCHEMBL9830891 0.81 REN (0.54) REN
SCHEMBL14415381 0.78 REN (0.47) RENMETAP2
SCHEMBL7303087 0.78 REN (0.47) RENMETAP2
SCHEMBL9823763 0.78 REN (0.47) RENMETAP2
SCHEMBL9683816 0.78 REN (0.48) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL9831215 0.78 REN (0.46) RENMETAP2
Hydrochloric Acid SCHEMBL9831459 0.77 REN (0.44) RENMETAP2METAP1
SCHEMBL7355979 0.77 REN (0.48) RENMETAP2METAP1

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
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
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP 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
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed