SCHEMBL7357964

SCHEMBL7357964

CCC(=O)OC1CCCC(C=O)C(OC(=O)CC)C1OC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43

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
SCHEMBL7773656 0.87 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7771634 0.83 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3
SCHEMBL23670799 0.76 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3
SCHEMBL28352210 0.76 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7771069 0.76 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7357957 0.75 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3
SCHEMBL27716385 0.74 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7351976 0.74 SLC18A3 (0.41) CHRM2CHRM4CHRM1CHRM3
SCHEMBL28129853 0.73 CHRM2 (0.53) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7492177 0.71 CHRM2 (0.51) CHRM2CHRM4CHRM1CHRM3

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 6 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-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed