SCHEMBL7284553

SCHEMBL7284553

CCCCCOC(=O)C1CSCCN1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.39
PRCP P42785 2/20 0.38
EPHX1 P07099 1/20 0.37
TSHR P16473 2/20 0.36
TLR2 O60603 1/20 0.36
PPARG P37231 3/20 0.35

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
SCHEMBL7351046 0.98 NAAA (0.41) NAAAPRCPEPHX1TSHRTLR2
SCHEMBL25590375 0.95 ALDH1A1 (0.39) NAAAPRCPTSHRTLR2
SCHEMBL629326 0.78 PRCP (0.54) NAAAPRCPEPHX1TLR2
SCHEMBL629327 0.78 PRCP (0.54) NAAAPRCPEPHX1TLR2
SCHEMBL7228241 0.77 NAAA (0.46) NAAA
SCHEMBL11881200 0.77 NAAA (0.50) NAAAEPHX1TSHRPPARG
SCHEMBL9658685 0.77 PRCP (0.56) NAAAPRCPEPHX1TSHRTLR2
SCHEMBL7782934 0.77 PRCP (0.56) NAAAPRCPEPHX1TSHRTLR2
SCHEMBL7780475 0.77 PRCP (0.56) NAAAPRCPEPHX1TSHRTLR2
SCHEMBL7533568 0.77 PRCP (0.56) NAAAPRCPEPHX1TSHRTLR2

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 8 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
CN-1091288-A The oxytocin antagonist OTSUKA PHARMA CO LTD (JP) 1994-08-31 CN 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
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed