SCHEMBL4687300

SCHEMBL4687300

CC(=O)NC1CCN(CCCCOc2ccc(Cl)c(C(=O)Nc3ccc(C(=O)N4CCCCc5cc(Cl)ccc54)cc3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.43
AVPR1A P37288 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
OXTR P30559 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
UTS2R Q9UKP6 1/20 0.41

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
SCHEMBL4687283 0.77 AVPR2 (0.51) AVPR2AVPR1AMAPT
SCHEMBL8635109 0.76 AVPR2 (0.44) AVPR2AVPR1AHTR1A
SCHEMBL8627652 0.74 AVPR2 (0.43) AVPR2AVPR1ALMNA
SCHEMBL8632578 0.73 AVPR2 (0.44) AVPR2AVPR1ALMNA
SCHEMBL8827651 0.72 AVPR2 (0.44) AVPR2HDAC1HDAC6HTR1A
SCHEMBL8627648 0.72 AVPR2 (0.47) AVPR2AVPR1ALMNAHTR1A
SCHEMBL8827641 0.71 AVPR2 (0.40) AVPR2AVPR1AHDAC1HDAC6HTR1A
SCHEMBL8632575 0.70 AVPR2 (0.46) AVPR2AVPR1ALMNAHTR1A
SCHEMBL4687327 0.70 AVPR2 (0.55) AVPR2AVPR1AMAPT
SCHEMBL7348955 0.69 AVPR2 (0.55) AVPR2AVPR1ALMNAMAPT

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 4 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-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