SCHEMBL7348348

SCHEMBL7348348

CCCCCCS(=O)(=O)C1CNCCS1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
FAAH O00519 2/20 0.35
CA2 P00918 2/20 0.33

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
SCHEMBL7293500 0.72 FAAH (0.35) FAAHCA2
SCHEMBL12649212 0.69 FAAH (0.40) FAAHCA2
Dimethylamine SCHEMBL7773507 0.68 FAAH (0.34) FAAHCA2
Hydrochloric Acid SCHEMBL1768796 0.67 FAAH (0.39) FAAHCA2
SCHEMBL5247560 0.66 LMNA (0.42) FAAH
SCHEMBL8860794 0.65 MAOA (0.38) MAOAMAOB
Benzene SCHEMBL27331265 0.65 MAOB (0.41) MAOAMAOB
SCHEMBL25021954 0.62 GNAI3 (0.45) FAAH
SCHEMBL24072881 0.62 GNAI3 (0.45) FAAH
SCHEMBL14370975 0.61 FAAH (0.45) FAAHCA2

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