SCHEMBL5775643

SCHEMBL5775643

CCOC(=O)CC1Cc2c[c]ccc2NC1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
MIF P14174 1/20 0.35
POLB P06746 1/20 0.34
HSD17B1 P14061 1/20 0.34
OPRM1 P35372 1/20 0.34
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL5780446 0.92 TSHR (0.44) TSHRHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL5779777 0.88 HSD17B10 (0.43) TSHRHSD17B10ALDH1A1MAPK1MIF
SCHEMBL8304087 0.83 HSD17B10 (0.55) TSHRHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL5811684 0.81 HSD17B10 (0.41) TSHRHSD17B10ALDH1A1MAPK1KDM4E
SCHEMBL5809399 0.80 HTT (0.38) HSD17B10GAA
SCHEMBL5779133 0.80 KDM4E (0.30) KDM4E
SCHEMBL7073283 0.80 HSD17B1 (0.47) TSHRHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL1018625 0.79 TSHR (0.43) TSHRHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL19055480 0.79 CYP1A2 (0.43) TSHRHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL7076747 0.77 HSD17B1 (0.45) TSHRHSD17B10ALDH1A1MAPTKMT2A

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
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP claimed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO claimed
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