SCHEMBL4682239

SCHEMBL4682239

O=C(Nc1ccc(C(=O)N2CCCC(O)(CO)c3cc(O)ccc32)c(Cl)c1)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
AVPR1A P37288 8/20 0.47
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
RAB9A P51151 1/20 0.46
AVPR2 P30518 11/20 0.44
AVPR1B P47901 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 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
SCHEMBL7352186 0.84 AVPR2 (0.55) LMNATP53AVPR1ACHRM1AVPR2
SCHEMBL8718169 0.84 AVPR2 (0.54) LMNATP53AVPR1ACHRM1AVPR2
SCHEMBL7354150 0.82 AVPR2 (0.48) LMNATP53AVPR1ACHRM1RAB9A
SCHEMBL8630548 0.76 HSD11B1 (0.44) AVPR1ACHRM5CHRM1CHRM3RAB9A
SCHEMBL4686961 0.75 AVPR2 (0.54) LMNATP53AVPR1ACHRM5CHRM1
SCHEMBL9038889 0.71 AVPR1A (0.54) AVPR1ACHRM1AVPR2
SCHEMBL22871472 0.71 LMNA (0.44) LMNATP53AVPR1ACHRM5CHRM1
SCHEMBL26405148 0.71 AVPR2 (0.57) LMNATP53AVPR1ACHRM1AVPR2
SCHEMBL7345994 0.69 AVPR2 (0.53) AVPR1ACHRM1AVPR2
SCHEMBL7344712 0.69 AVPR2 (0.65) AVPR1ACHRM1AVPR2AVPR1B

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