SCHEMBL7326788

SCHEMBL7326788

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.41
METAP2 P50579 8/20 0.38
METAP1 P53582 7/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 1/20 0.33
CYP1A2 P05177 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
SCHEMBL7435879 1.00 REN (0.41) RENMETAP2METAP1MEN1KMT2A
SCHEMBL7340194 0.89 REN (0.40) RENMETAP2METAP1MEN1KMT2A
SCHEMBL7278123 0.89 REN (0.40) RENMETAP2METAP1MEN1KMT2A
SCHEMBL7436405 0.89 REN (0.42) RENMETAP2METAP1MEN1KMT2A
SCHEMBL9442976 0.86 REN (0.39) RENMETAP2METAP1MEN1KMT2A
SCHEMBL9832192 0.86 REN (0.39) RENMETAP2METAP1MEN1KMT2A
SCHEMBL5671311 0.81 REN (0.40) RENMETAP2METAP1CYP1A2
SCHEMBL5670653 0.79 REN (0.38) RENMETAP2METAP1
SCHEMBL9831980 0.77 REN (0.37) RENMETAP2METAP1
SCHEMBL10610858 0.77 REN (0.37) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5268374-A Containing both amide and hydroxy groups ABBOTT LABORATORIES (US) 1993-12-07 US disclosed
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP disclosed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0364804-A1 Non-peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-04-25 EP disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed