SCHEMBL4686174

SCHEMBL4686174

[O]CCCCCCSc1ncc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.49
GPR84 Q9NQS5 3/20 0.43
GRIN2B Q13224 2/20 0.41
GRIN2A Q12879 1/20 0.41
TXN P10599 1/20 0.37
TXNRD1 Q16881 1/20 0.37
HSD11B1 P28845 1/20 0.36
CTSZ Q9UBR2 1/20 0.35
XDH P47989 2/20 0.35
HDAC1 Q13547 1/20 0.33
PLA2G7 Q13093 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
KDM3B Q7LBC6 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
TBXAS1 P24557 1/20 0.33
CTSK P43235 1/20 0.32

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
SCHEMBL7356734 1.00 FDPS (0.49) FDPSGPR84GRIN2BGRIN2ATXN
SCHEMBL7436412 0.93 FDPS (0.51) FDPSGPR84GRIN2BGRIN2ATXN
SCHEMBL4684553 0.85
SCHEMBL4686177 0.84 FDPS (0.50) FDPSGPR84GRIN2BGRIN2ATXN
SCHEMBL7356738 0.84 FDPS (0.50) FDPSGPR84GRIN2BGRIN2ATXN
SCHEMBL8425631 0.82 FDPS (0.45) FDPSGPR84GRIN2BGRIN2ATXN
SCHEMBL11330161 0.82 GPR84 (0.58) FDPSGPR84TXNTXNRD1XDH
SCHEMBL10577072 0.80 FDPS (0.56) FDPSGPR84GRIN2BGRIN2ATXN
SCHEMBL6169090 0.80 GPR84 (0.55) FDPSGPR84GRIN2BGRIN2ATXN
SCHEMBL11102251 0.79 FDPS (0.49) FDPSGPR84GRIN2BGRIN2ATXN

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
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed