SCHEMBL7278068

SCHEMBL7278068

O[C@@H](CNCc1ccccc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.77
KDM4E B2RXH2 2/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
PLA2G1B P04054 1/20 0.64
POLB P06746 1/20 0.64
ATG4B Q9Y4P1 1/20 0.64
SLC16A3 O15427 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
AOC3 Q16853 3/20 0.57
BCHE P06276 2/20 0.55
ADRB2 P07550 1/20 0.53

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
SCHEMBL1849603 1.00 LMNA (0.77) LMNAKDM4EL3MBTL1PLA2G1BPOLB
SCHEMBL2289990 1.00 LMNA (0.77) LMNAKDM4EL3MBTL1PLA2G1BPOLB
SCHEMBL6458060 0.89 LMNA (0.64) LMNAKDM4EL3MBTL1PLA2G1BPOLB
SCHEMBL10133058 0.89 LMNA (0.84) LMNAKDM4EL3MBTL1PLA2G1BPOLB
SCHEMBL1673479 0.88 LMNA (0.68) LMNAKDM4EL3MBTL1PLA2G1BPOLB
SCHEMBL14646432 0.88 LMNA (0.68) LMNAKDM4EL3MBTL1PLA2G1BPOLB
SCHEMBL323956 0.88 LMNA (0.62) LMNAKDM4EL3MBTL1PLA2G1BPOLB
SCHEMBL2295189 0.88 LMNA (0.62) LMNAKDM4EL3MBTL1PLA2G1BPOLB
SCHEMBL2296862 0.88 LMNA (0.62) LMNAKDM4EL3MBTL1PLA2G1BPOLB
SCHEMBL2296260 0.88 LMNA (0.62) LMNAKDM4EL3MBTL1PLA2G1BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825189-B1 1,4-BENZODIOXIN DERIVATIVES NISSHIN PHARMA INC (JP) 2002-01-02 EP disclosed
US-6130243-A PROPHYLACTIC OR THERAPEUTIC AGENT FOR DIABETES, HYPERGLYCEMIA AND OBESITY IN MAMMALS NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-10-10 US disclosed
EP-0825189-A1 1,4-BENZODIOXIN DERIVATIVES NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-02-25 EP disclosed
EP-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 EP disclosed
US-5565476-A RENIN INHIBITORS FOR TREATMENT OF CONGESTIVE HEART FAILURE AND HYPERTENSION BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-10-15 US disclosed
US-5554634-A HYPOTENSIVE BIO-MEGA BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-09-10 US disclosed
US-5523315-A N-(hydroxyethyl)butanediamide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-06-04 US disclosed
WO-1994007845-A1 N-(HYDROXYETHYL)BUTANEDIAMIDE DERIVATIVES AS RENIN INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 WO disclosed
EP-0589446-A1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP disclosed