SCHEMBL4685285

SCHEMBL4685285

CCOc1ccccc1CCC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.54
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTR7 P34969 1/20 0.52
GLA P06280 1/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
MCL1 Q07820 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL1208625 0.86 L3MBTL1 (0.59) L3MBTL1MAPTNPSR1GLAGAA
SCHEMBL11341859 0.86 L3MBTL1 (0.54) L3MBTL1MAPTNPSR1HTR7GLA
SCHEMBL4685283 0.85 L3MBTL1 (0.53) L3MBTL1MAPTNPSR1HTR7GLA
SCHEMBL2437293 0.84 TAAR1 (0.59) LMNAMTNR1A
SCHEMBL31689751 0.84 TAAR1 (0.59) LMNAMTNR1A
SCHEMBL16673226 0.83 CYP4F2 (0.67) L3MBTL1MAPTNPSR1GLAGAA
SCHEMBL29718904 0.82 L3MBTL1 (0.58) L3MBTL1MAPTNPSR1HTR7GLA
SCHEMBL4011789 0.82 L3MBTL1 (0.58) L3MBTL1MAPTNPSR1HTR7GLA
SCHEMBL31321702 0.82 MAPT (0.50) L3MBTL1MAPTNPSR1HTR7ALDH1A1
SCHEMBL26638197 0.81 ALOX5 (0.51) L3MBTL1MAPTNPSR1GLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516437-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES Novartis AG (CH) 2012-10-31 EP disclosed
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
CN-1098716-A Vasopressin antagonists and oxytocin antagonists OTSUKA CHEMICAL CO LTD (JP) 1995-02-15 CN 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