SCHEMBL7288276

SCHEMBL7288276

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

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OXTR P30559 7/20 0.73
ALDH1A1 P00352 1/20 0.60
AVPR2 P30518 1/20 0.60
AVPR1A P37288 1/20 0.60

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
SCHEMBL7295366 0.93 OXTR (0.64) OXTRALDH1A1AVPR2AVPR1A
SCHEMBL7287761 0.93 OXTR (0.64) OXTRALDH1A1AVPR2AVPR1A
SCHEMBL7297843 0.93 OXTR (0.66) OXTR
SCHEMBL7297391 0.92 OXTR (0.75) OXTR
SCHEMBL7439289 0.91 OXTR (0.75) OXTRALDH1A1AVPR2AVPR1A
SCHEMBL7296349 0.91 OXTR (0.62) OXTR
SCHEMBL7286950 0.91 OXTR (0.62) OXTR
SCHEMBL7295405 0.90 OXTR (0.60) OXTR
SCHEMBL7289606 0.90 OXTR (0.60) OXTR
SCHEMBL7297556 0.90 OXTR (0.61) OXTRAVPR1A

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