SCHEMBL4685663

SCHEMBL4685663

CCCC(=O)N1CCN(CCCC[O])CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.49
HRH1 P35367 2/20 0.49
HTR7 P34969 6/20 0.47
HTR1A P08908 2/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRNB3 Q05901 1/20 0.46
CHRNA6 Q15825 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GNAI3 P08754 2/20 0.42
GNAI1 P63096 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
PAOX Q6QHF9 1/20 0.42
HSD11B1 P28845 1/20 0.40
GNAO1 P09471 1/20 0.39

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
SCHEMBL4685100 0.90 GNAI3 (0.51) HRH2HRH1HTR7HTR1AL3MBTL1
SCHEMBL4685413 0.89 GNAI3 (0.58) HRH2HRH1HTR7HTR1AL3MBTL1
SCHEMBL19618199 0.88 HRH2 (0.56) HRH2HRH1HTR7HTR1AL3MBTL1
SCHEMBL25887674 0.88 HRH2 (0.56) HRH2HRH1HTR7HTR1AL3MBTL1
SCHEMBL25887670 0.88 HRH2 (0.56) HRH2HRH1HTR7HTR1AL3MBTL1
SCHEMBL4685669 0.86 HRH2 (0.49) HRH2HRH1HTR7HTR1ACHRNB2
SCHEMBL24745090 0.83 CHRNB2 (0.48) HRH2HRH1HTR7HTR1ACHRNB2
SCHEMBL10070849 0.81 GNAI3 (0.60) HRH2HRH1HTR7HTR1AL3MBTL1
SCHEMBL31632752 0.81 GNAI3 (0.65) HRH2HRH1HTR7HTR1AL3MBTL1
SCHEMBL31632758 0.81 GNAI3 (0.65) HRH2HRH1HTR7HTR1AL3MBTL1

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