SCHEMBL4685100

SCHEMBL4685100

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 8/20 0.51
GNAI1 P63096 8/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR7 P34969 2/20 0.48
HTR1A P08908 1/20 0.48
GNAO1 P09471 7/20 0.47
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
PAOX Q6QHF9 1/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL4685413 0.95 GNAI3 (0.58) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL10070849 0.92 GNAI3 (0.60) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL4685663 0.90 HRH2 (0.49) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL31632752 0.88 GNAI3 (0.65) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL31632758 0.88 GNAI3 (0.65) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL4685107 0.87 GNAI3 (0.51) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL19618199 0.85 HRH2 (0.56) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL25887670 0.85 HRH2 (0.56) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL25887674 0.85 HRH2 (0.56) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL17167936 0.85 GNAI3 (0.65) GNAI3GNAI1L3MBTL1MEN1KMT2A

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