SCHEMBL9850796

SCHEMBL9850796

CC(C)(C)OC(=O)CCN1C(=O)CS(=O)(=O)c2ccncc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
SSTR4 P31391 3/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNN4 O15554 9/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL9850791 0.83 NPSR1 (0.49) RENKMT2ANPSR1KCNN4KDM4E
SCHEMBL9845852 0.77 NPSR1 (0.41) RENSCN9ASCN10AKMT2ANPSR1
SCHEMBL7278305 0.73 HSD17B10 (0.52) SCN9ASCN10AKMT2AKDM4EALDH1A1
SCHEMBL7270605 0.71 HSD17B10 (0.46) KMT2AKDM4EALDH1A1
SCHEMBL14984829 0.64 ALDH1A1 (0.44) NPSR1ALDH1A1
SCHEMBL9850703 0.64 ALDH1A1 (0.46) KMT2ANPSR1ALDH1A1
SCHEMBL11327841 0.63 HPGD (0.58) KMT2AALDH1A1
SCHEMBL8322503 0.62 KDM4E (0.41) KDM4EALDH1A1
SCHEMBL5806069 0.62 MAPT (0.50) KMT2ANPSR1ALDH1A1
SCHEMBL14984419 0.61 PLA2G10 (0.37) SCN9ASCN10AKMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416740-A2 Novel compounds with renin-inhibiting activity Beecham Group p.l.c. (GB) 1991-03-13 EP disclosed