SCHEMBL7288164

SCHEMBL7288164

COc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)c(OCCOC(C)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.59
AVPR1A P37288 2/20 0.56
AVPR1B P47901 2/20 0.56

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
SCHEMBL7297903 0.96 OXTR (0.58) OXTRAVPR1AAVPR1B
SCHEMBL7296349 0.92 OXTR (0.62) OXTR
SCHEMBL7286950 0.91 OXTR (0.62) OXTR
SCHEMBL7288884 0.90 OXTR (0.61) OXTRAVPR1AAVPR1B
SCHEMBL7297556 0.90 OXTR (0.61) OXTRAVPR1AAVPR1B
SCHEMBL7295366 0.89 OXTR (0.64) OXTRAVPR1A
SCHEMBL7297843 0.89 OXTR (0.66) OXTR
SCHEMBL7288276 0.89 OXTR (0.73) OXTRAVPR1A
SCHEMBL7287499 0.89 OXTR (0.57) OXTRAVPR1AAVPR1B
SCHEMBL7287400 0.88 OXTR (0.59) OXTRAVPR1AAVPR1B

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
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed