SCHEMBL7297410

SCHEMBL7297410

CC(C)(C=O)CC1CNCCO1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.36
SLC6A3 Q01959 6/20 0.36
SLC6A4 P31645 6/20 0.36
HTR2A P28223 3/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
ADRA2C P18825 1/20 0.36
SSTR4 P31391 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
SCHEMBL29322616 0.86 SLC6A2 (0.36) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL29322818 0.82 SLC6A2 (0.35) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL23179778 0.80 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL10308899 0.80 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL23179776 0.80 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL31265606 0.77 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL31265610 0.77 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL7297402 0.76 SLC6A2 (0.36) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL23745351 0.75 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL11537330 0.73 SLC6A2 (0.35) SLC6A2SLC6A3SLC6A4HTR2AADRB2

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
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
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed