SCHEMBL7352844

SCHEMBL7352844

CCC1CC(O)OC(O)C1O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL14882862 0.86
SCHEMBL12658766 0.80 MGAM (0.30) MGAMGAASIMGAM2
SCHEMBL9888340 0.80 CHRM5 (0.31) MGAMGAASIMGAM2
SCHEMBL13377397 0.80 MGAM (0.30) MGAMGAASIMGAM2
SCHEMBL13377551 0.80 MGAM (0.30) MGAMGAASIMGAM2
SCHEMBL14386338 0.80 MGAM (0.30) MGAMGAASIMGAM2
SCHEMBL13377534 0.80 MGAM (0.30) MGAMGAASIMGAM2
SCHEMBL9888304 0.80 CHRM5 (0.31) MGAMGAASIMGAM2
SCHEMBL13377537 0.80 MGAM (0.30) MGAMGAASIMGAM2
SCHEMBL23384285 0.79 SI (0.41) MGAMGAASI

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