SCHEMBL4682848

SCHEMBL4682848

Cc1cc(N)ccc1C(=O)N1CCCC(OCCCN2CCOCC2)c2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.45
HTR7 P34969 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MEN1 O00255 1/20 0.39
TDP2 O95551 1/20 0.39
CASP6 P55212 1/20 0.39
UBE2I P63279 1/20 0.39
KMT2A Q03164 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
BRD4 O60885 1/20 0.39
MAPK14 Q16539 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL4685307 0.94 AVPR2 (0.45) AVPR2HTR7HRH3BRD4
SCHEMBL4687267 0.88 AVPR2 (0.43) AVPR2HTR7HRH3MEN1KMT2A
SCHEMBL4685221 0.85 AVPR2 (0.66) AVPR2
SCHEMBL4680895 0.82 AVPR2 (0.41) AVPR2MEN1KMT2A
Iodide SCHEMBL4686142 0.80 AVPR2 (0.40) AVPR2HTR7HRH3MEN1KMT2A
SCHEMBL5480924 0.77 AVPR2 (0.46) AVPR2
SCHEMBL8628980 0.75 AVPR2 (0.47) AVPR2HTR7HRH3
SCHEMBL4681210 0.75 MAPT (0.38) AVPR2MEN1KMT2A
SCHEMBL8628984 0.74 AVPR2 (0.46) AVPR2HTR7HRH3
SCHEMBL7342308 0.73 MAPT (0.39) AVPR2MEN1KMT2A

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