SCHEMBL7326847

SCHEMBL7326847

CC(C)CNC(=O)C(F)(F)C(O)C(N)CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.46
METAP2 P50579 4/20 0.43
CTSD P07339 8/20 0.41
EPHX1 P07099 1/20 0.40
CPB2 Q96IY4 1/20 0.39
MMP1 P03956 1/20 0.39
MMP8 P22894 1/20 0.39
METAP1 P53582 3/20 0.38

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
SCHEMBL7284894 0.84 REN (0.43) RENMETAP2CPB2METAP1
SCHEMBL7284964 0.84 REN (0.43) RENMETAP2CPB2METAP1
SCHEMBL7284908 0.84 REN (0.43) RENMETAP2CPB2METAP1
SCHEMBL7284898 0.84 REN (0.43) RENMETAP2CPB2METAP1
Hydrochloric Acid SCHEMBL7285772 0.83 REN (0.43) RENMETAP2CPB2METAP1
Hydrochloric Acid SCHEMBL7285775 0.83 REN (0.43) RENMETAP2CPB2METAP1
Hydrochloric Acid SCHEMBL7285779 0.83 REN (0.43) RENMETAP2CPB2METAP1
Hydrochloric Acid SCHEMBL7351019 0.83 REN (0.43) RENMETAP2CPB2METAP1
SCHEMBL10353206 0.78 METAP2 (0.44) RENMETAP2METAP1
SCHEMBL7358079 0.78 METAP2 (0.44) 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-A4 NON-PEPTIDE RENIN INHIBITORS 1991-11-06 EP disclosed
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 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