SCHEMBL4684337

SCHEMBL4684337

OCCCCCCc1ncc[nH]1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.64
TERT O14746 1/20 0.50
ALOX15 P16050 1/20 0.41
TAAR1 Q96RJ0 8/20 0.40
FDPS P14324 1/20 0.40
HTR1A P08908 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL28517717 1.00 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL3468872 1.00 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL27191622 1.00 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL5611002 1.00 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL1092797 1.00 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL28619801 1.00 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL8542 0.98 TBXAS1 (0.61) TBXAS1TERTALOX15TAAR1FDPS
Hydrochloric Acid SCHEMBL10816272 0.96 TBXAS1 (0.62) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL9315 0.92
SCHEMBL28062565 0.89 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS

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 9 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-5677299-A VASOPRESSIN OR OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-10-14 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
US-5498609-A Benzoazepinyl compounds as oxytocin and vasopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-03-12 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
EP-0612319-A1 BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-08-31 EP disclosed
WO-1994004525-A1 BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-03 WO disclosed