SCHEMBL4685385

SCHEMBL4685385

CC(C[O])Cn1cncn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
FDPS P14324 1/20 0.37
CYP19A1 P11511 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL13894764 0.82 CYP19A1 (0.37) EGLN3KMT2AMEN1FDPSCYP19A1
SCHEMBL10192307 0.82 CYP19A1 (0.37) EGLN3KMT2AMEN1FDPSCYP19A1
SCHEMBL7470887 0.79 EGLN3 (0.37) EGLN3KMT2AMEN1FDPSCYP19A1
SCHEMBL7470879 0.79 EGLN3 (0.37) EGLN3KMT2AMEN1FDPSCYP19A1
SCHEMBL171184 0.79
SCHEMBL7467012 0.79
SCHEMBL25022444 0.78 TSHR (0.37) EGLN3KMT2AMEN1CYP19A1
SCHEMBL22365186 0.77 CYP19A1 (0.34) EGLN3KMT2AMEN1FDPSCYP19A1
SCHEMBL12251302 0.75 CYP19A1 (0.38) EGLN3KMT2AMEN1FDPSCYP19A1
SCHEMBL1082326 0.75

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-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
CN-1039999-C Vasopressin antagonist and oxytocin antagonist, process for their preparation and pharmaceutical compositions containing them OTSUKA CHEMICAL CO LTD (JP) 1998-09-30 CN 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-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed