SCHEMBL7316243

SCHEMBL7316243

C[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.54
MMP8 P22894 1/20 0.52
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.48
CTSS P25774 1/20 0.48
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FKBP1A P62942 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL7316236 1.00 REN (0.54) RENMMP8HSD17B10ALOX15TSHR
SCHEMBL9442930 0.89 REN (0.52) RENHSD17B10TSHRHPGDGAA
SCHEMBL7324817 0.89 REN (0.52) RENHSD17B10TSHRHPGDGAA
SCHEMBL7316230 0.88 REN (0.54) RENHSD17B10TSHRHPGDGAA
SCHEMBL7316226 0.88 REN (0.54) RENHSD17B10TSHRHPGDGAA
SCHEMBL7316518 0.85 REN (0.56) RENMMP8CTSS
SCHEMBL7316514 0.85 REN (0.56) RENMMP8CTSS
SCHEMBL9442920 0.84 REN (0.53) RENMMP8TSHRCTSS
SCHEMBL9442915 0.84 REN (0.53) RENMMP8TSHRCTSS
SCHEMBL7320331 0.81 ALDH1A1 (0.47) RENHSD17B10TSHRALDH1A1HPGD

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 4 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-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