SCHEMBL4685283

SCHEMBL4685283

CCOc1ccccc1CCC([NH])=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GLA P06280 1/20 0.49
GAA P10253 3/20 0.47
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HTR7 P34969 1/20 0.45
THRB P10828 2/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
ATM Q13315 1/20 0.44
PLEC Q15149 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HCRTR1 O43613 1/20 0.44
CYP4F2 P78329 1/20 0.44

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
SCHEMBL11341859 0.85 L3MBTL1 (0.54) L3MBTL1MAPTNPSR1GLAGAA
SCHEMBL1208625 0.85 L3MBTL1 (0.59) L3MBTL1MAPTNPSR1GLAGAA
SCHEMBL4685285 0.85 L3MBTL1 (0.54) L3MBTL1MAPTNPSR1GLAGAA
SCHEMBL6583898 0.83 MTNR1A (0.57) MEN1KMT2A
SCHEMBL16673226 0.82 CYP4F2 (0.67) L3MBTL1MAPTNPSR1GLAGAA
SCHEMBL26638197 0.80 ALOX5 (0.51) L3MBTL1MAPTNPSR1GLAKMT2A
SCHEMBL26637856 0.78 L3MBTL1 (0.47) L3MBTL1MAPTNPSR1GLAGAA
SCHEMBL4681231 0.78 CYP4F2 (0.47) GAALMNAALDH1A1CYP4F2CYP4A11
SCHEMBL6972541 0.77 L3MBTL1 (0.58) L3MBTL1MAPTNPSR1GLAGAA
SCHEMBL31321702 0.77 MAPT (0.50) L3MBTL1MAPTNPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed