SCHEMBL4685341

SCHEMBL4685341

C[C](C)CC(=O)C1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.46
DPP4 P27487 4/20 0.42
DPP7 Q9UHL4 2/20 0.41
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
SCN4A P35499 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
FAP Q12884 1/20 0.37
CTSC P53634 1/20 0.36
TLR2 O60603 1/20 0.36

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
SCHEMBL9070256 0.94 PRCP (0.41) PRCPDPP4DPP7NOS2NOS3
SCHEMBL4012939 0.88 PRCP (0.46) PRCPDPP4DPP7NOS2NOS3
SCHEMBL4733728 0.82 PRCP (0.44) PRCPDPP4DPP7NOS2NOS3
SCHEMBL4733724 0.82 PRCP (0.44) PRCPDPP4DPP7NOS2NOS3
SCHEMBL4733722 0.82 PRCP (0.44) PRCPDPP4DPP7NOS2NOS3
SCHEMBL1969951 0.80 NOS2 (0.50) PRCPDPP4DPP7NOS2NOS3
SCHEMBL2496026 0.80 PRCP (0.46) PRCPDPP4DPP7NOS2NOS3
SCHEMBL29471063 0.80 PRCP (0.42) PRCPDPP4DPP7NOS2NOS3
SCHEMBL1969952 0.80 NOS2 (0.50) PRCPDPP4DPP7NOS2NOS3
SCHEMBL878969 0.79

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