SCHEMBL4685018

SCHEMBL4685018

CONC(=O)NCCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.48
AVPR1B P47901 5/20 0.48
AVPR2 P30518 9/20 0.46
MAPT P10636 5/20 0.44
TP53 P04637 3/20 0.44
LMNA P02545 1/20 0.43
IDO1 P14902 1/20 0.42
KCNH2 Q12809 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
SCHEMBL7357285 0.89 AVPR1A (0.50) AVPR1AAVPR1BAVPR2MAPTTP53
SCHEMBL7383926 0.88 AVPR1A (0.49) AVPR1AAVPR1BAVPR2MAPTTP53
SCHEMBL7359772 0.87 AVPR2 (0.56) AVPR1AAVPR1BAVPR2
SCHEMBL7354914 0.87 AVPR2 (0.53) AVPR1AAVPR1BAVPR2TP53LMNA
SCHEMBL4687327 0.84 AVPR2 (0.55) AVPR1AAVPR1BAVPR2MAPTTP53
SCHEMBL4685480 0.83 AVPR2 (0.48) AVPR1AAVPR1BAVPR2MAPTTP53
SCHEMBL4687283 0.83 AVPR2 (0.51) AVPR1AAVPR1BAVPR2MAPT
SCHEMBL4688331 0.83 KMT2A (0.48) AVPR1AAVPR1BAVPR2TP53
SCHEMBL7017018 0.77 AVPR2 (0.54) AVPR1AAVPR1BAVPR2MAPTTP53
SCHEMBL8827668 0.76 AVPR2 (0.49) AVPR1AAVPR2MAPTIDO1KCNH2

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 5 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-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed