SCHEMBL5777838

SCHEMBL5777838

CCOC(=O)Cc1cc2c[c]ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RECQL P46063 2/20 0.40
GAA P10253 1/20 0.40
CHEK1 O14757 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 4/20 0.37
ALOX15 P16050 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL5777282 0.90 SMN1; SMN2 (0.49) SMN1; SMN2HSD17B10L3MBTL1MAPTMEN1
SCHEMBL5777259 0.86 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10L3MBTL1MAPTMEN1
SCHEMBL170083 0.81 HSD17B10 (0.56) SMN1; SMN2HSD17B10L3MBTL1MAPTMEN1
SCHEMBL1661482 0.79 SIRT1 (0.42) SMN1; SMN2HSD17B10MAPTMEN1KMT2A
SCHEMBL10593092 0.77 KDM4E (0.65) SMN1; SMN2HSD17B10L3MBTL1MAPTMEN1
SCHEMBL5775364 0.76 KDM4E (0.39) SMN1; SMN2HSD17B10L3MBTL1MAPTMEN1
SCHEMBL189125 0.75 LOXL2 (0.37) MAPTKDM4EALDH1A1
SCHEMBL6715596 0.75 SMN1; SMN2 (0.50) SMN1; SMN2HSD17B10L3MBTL1MAPTMEN1
SCHEMBL29507018 0.75 SMN1; SMN2 (0.50) SMN1; SMN2HSD17B10L3MBTL1MAPTMEN1
SCHEMBL5780813 0.75 MTNR1A (0.42) SMN1; SMN2HSD17B10MAPTKMT2AKDM4E

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