SCHEMBL8799177

SCHEMBL8799177

CN1CCN(Cc2cccc(OCCCN)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
DRD2 P14416 5/20 0.52
DRD3 P35462 3/20 0.52
DRD4 P21917 2/20 0.52
NPC1 O15118 2/20 0.51
TP53 P04637 2/20 0.51
RAB9A P51151 2/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR1A P08908 3/20 0.51
HTR2B P41595 3/20 0.51
HRH3 Q9Y5N1 3/20 0.50
MC4R P32245 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL9551700 0.87 HRH2 (0.59) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL11041528 0.86 SIGMAR1 (0.52) SIGMAR1DRD2DRD3DRD4NPC1
SCHEMBL10527698 0.86 HRH2 (0.61) HRH3
SCHEMBL30597717 0.86 HRH2 (0.61) HRH3
SCHEMBL5288663 0.86 HRH2 (0.61) HRH3
SCHEMBL10689006 0.86 HRH2 (0.61) HRH3
SCHEMBL10679839 0.86 HRH2 (0.61) HRH3
SCHEMBL25108942 0.85 NPC1 (0.71) SIGMAR1DRD2NPC1TP53RAB9A
SCHEMBL22793926 0.85 NPC1 (0.71) SIGMAR1DRD2NPC1TP53RAB9A
SCHEMBL24514671 0.85 NPC1 (0.71) SIGMAR1DRD2NPC1TP53RAB9A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641789-B1 BENZOTHIADIAZINE DERIVATIVE TAIHO PHARMACEUTICAL CO LTD (JP) 1997-12-03 EP disclosed
US-5401739-A Benzothiadiazine derivatives TAIHO PHARMACEUTICAL CO. LTD. (JP) 1995-03-28 US disclosed
EP-0641789-A1 BENZOTHIADIAZINE DERIVATIVE TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1995-03-08 EP disclosed
US-4788184-A Substituted 3-cyclobutene-1,2-diones as anti-ulcer agents BRISTOL-MYERS COMPANY (US) 1988-11-29 US disclosed
US-4772704-A ANTIULCER AGENTS BRISTOL-MYERS COMPANY (US) 1988-09-20 US disclosed
US-4727081-A ANTIULCER AGENTS LUDWIG HEUMANN & CO. GMBH (DE) 1988-02-23 US disclosed
EP-0040696-B1 AMINOTHIADIAZOLES AS GASTRIC SECRETION INHIBITORS MERCK & CO. INC. (US) 1986-08-27 EP disclosed
US-4607105-A FOR 1-(SUBSTITUTED AMINO)-2-(AMINO OR SUBSTITUTED) DERIVATIVES; HISTAMINE H2-ANTAGONISTS BRISTOL-MYERS COMPANY (US) 1986-08-19 US disclosed
EP-0180754-A2 3,4-Diazole derivatives, process for their preparation and medicines containing these compounds LUDWIG HEUMANN & CO GMBH (DE) 1986-05-14 EP disclosed
US-4546188-A USEFUL IN TREATMENT OF PEPTIC ULCERS BRISTOL-MYERS COMPANY (US) 1985-10-08 US disclosed
US-4471122-A Thiadiazole histamine H2 -antagonists BRISTOL-MYERS COMPANY (US) 1984-09-11 US disclosed
EP-0103503-A2 N-substituted amides, their salts, process for their preparation and pharmaceutical compositions containing them SANOFI S.A. (FR) 1984-03-21 EP disclosed
EP-0101380-A2 N-substituted nicotinamide-1-oxide, its salts, process for their preparation and pharmaceutical compositions containing them SANOFI S.A. (FR) 1984-02-22 EP disclosed
EP-0099122-A2 Compositions comprising pepstatin and an histamine H2-receptor antagonist having an enhanced antiulcer activity Bristol-Myers Company (US) 1984-01-25 EP disclosed
EP-0099121-A2 Pharmaceutical compositions Bristol-Myers Company (US) 1984-01-25 EP disclosed
US-4394508-A ANTIULCER AND ANTISECRETORY AGENTS; HISTAMINE ANTAGONIST BRISTOL-MYERS COMPANY (US) 1983-07-19 US disclosed
US-4380639-A ANTIULCER AND ANTISECRETORY AGENTS BRISTOL-MYERS COMPANY (US) 1983-04-19 US disclosed
US-4380638-A ANTIULCER AND ANTISECRETORY AGENTS; DERIVATIVES OF 3-AMINO-4-HET-A BRISTOL-MYERS COMPANY (US) 1983-04-19 US disclosed
US-4374248-A ANTIHISTAMINES, ANTIULCER BRISTOL-MYERS COMPANY (US) 1983-02-15 US disclosed
EP-0040696-A2 Aminothiadiazoles as gastric secretion inhibitors MERCK & CO. INC. (US) 1981-12-02 EP disclosed