SCHEMBL5811684

SCHEMBL5811684

COC(=O)CC1Cc2cc[c]cc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
MIF P14174 5/20 0.35
EGFR P00533 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL5779777 0.90 HSD17B10 (0.43) HSD17B10HTTGAAUSP2MIF
SCHEMBL5780446 0.89 TSHR (0.44) HSD17B10GAAMIFALDH1A1MAPK1
SCHEMBL5779295 0.89 HTT (0.35) HSD17B10HTTGAAUSP2
SCHEMBL4334134 0.82 HSD17B10 (0.53) HSD17B10HTTGAAUSP2EGFR
SCHEMBL5775643 0.81 TSHR (0.46) HSD17B10GAAMIFALDH1A1MAPK1
SCHEMBL3285625 0.80 CREBBP (0.32)
SCHEMBL5809399 0.79 HTT (0.38) HSD17B10HTTGAAUSP2
SCHEMBL5778080 0.79 MTNR1A (0.45)
SCHEMBL5780206 0.79 KDM4E (0.33) GAAALDH1A1KDM4ETSHR
SCHEMBL7073390 0.79 GAA (0.42) HSD17B10HTTGAAUSP2MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO claimed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO claimed
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed