SCHEMBL7288508

SCHEMBL7288508

CCCCCOC(=O)C1C[N]CCO1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
NAAA Q02083 3/20 0.38
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 3/20 0.36
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 2/20 0.35
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 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
SCHEMBL27978920 0.77 NAAA (0.47) TSHRNAAATP53CYP3A4MAPK1
SCHEMBL2504968 0.76 NAAA (0.50) TSHRNAAAMAPK1RAD52NPSR1
SCHEMBL2500887 0.76 NAAA (0.50) TSHRNAAAMAPK1RAD52NPSR1
SCHEMBL3277815 0.76 NAAA (0.50) TSHRNAAAMAPK1RAD52NPSR1
SCHEMBL2496758 0.76 NAAA (0.50) TSHRNAAAMAPK1RAD52NPSR1
SCHEMBL339014 0.76 NAAA (0.50) TSHRNAAAMAPK1RAD52NPSR1
SCHEMBL8164076 0.76 NAAA (0.50) TSHRNAAAMAPK1RAD52NPSR1
SCHEMBL27157059 0.76 NAAA (0.50) TSHRNAAAMAPK1RAD52NPSR1
SCHEMBL4633628 0.76 RAB9A (0.49) TSHRNAAARAB9AHSD17B10TP53
SCHEMBL5935761 0.76 RAB9A (0.49) TSHRNAAARAB9AHSD17B10TP53

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP 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
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed