SCHEMBL7274058

SCHEMBL7274058

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.49
METAP2 P50579 6/20 0.40
METAP1 P53582 4/20 0.35
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SHBG P04278 1/20 0.32
CTSD P07339 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
SCHEMBL7275426 0.88 REN (0.46) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7287286 0.88 REN (0.46) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL10591623 0.88 REN (0.46) RENMETAP2METAP1
SCHEMBL7275433 0.88 REN (0.46) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL6682408 0.85 REN (0.49) RENMETAP2METAP1
SCHEMBL7428251 0.85 REN (0.49) RENMETAP2METAP1
SCHEMBL9417458 0.85 REN (0.49) RENMETAP2METAP1
SCHEMBL9472371 0.85 REN (0.49) RENMETAP2METAP1
SCHEMBL7265179 0.85 REN (0.49) RENMETAP2METAP1
SCHEMBL9556161 0.85 REN (0.49) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP claimed
EP-0229667-B1 Peptidylaminodiols ABBOTT LAB (US) 1994-07-13 EP disclosed
US-5214129-A Amidation of a protected amino acid by an di-O-protected dihydroxy-containing amine and coupling with a carboxylic acid; deprotecting; renin inhibitors; hypotensive agents ABBOTT LABORATORIES (US) 1993-05-25 US disclosed
US-5091575-A Renin inhibitor ABBOTT LABORATORIES (US) 1992-02-25 US disclosed
US-5032577-A Hypotensive ABBOTT LABORATORIES (US) 1991-07-16 US disclosed
EP-0295294-A4 PEPTIDYLAMINODIOLS. ABBOTT LAB (US) 1990-04-10 EP disclosed
US-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 US disclosed
EP-0295294-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-12-21 EP disclosed
WO-1988005050-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-07-14 WO disclosed
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 EP disclosed