SCHEMBL8562745

SCHEMBL8562745

[CH2]CCOc1cccc(CN2CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HRH3 Q9Y5N1 2/20 0.55
FAAH O00519 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL9735417 0.98 KDM4E (0.57) HRH2SMN1; SMN2KDM4EALDH1A1HRH3
SCHEMBL9734996 0.86 SIGMAR1 (0.51) KDM4EALDH1A1FAAHTDP1
SCHEMBL13293747 0.85 HRH3 (0.59) HRH2SMN1; SMN2KDM4EALDH1A1HRH3
SCHEMBL10682807 0.85 KDM4E (0.63) HRH2SMN1; SMN2KDM4EALDH1A1HRH3
SCHEMBL5167259 0.85 HRH2 (0.59) HRH2SMN1; SMN2KDM4EALDH1A1HRH3
SCHEMBL13544385 0.85 HRH3 (0.74) SMN1; SMN2KDM4EALDH1A1HRH3FAAH
SCHEMBL10934478 0.85 HRH2 (0.59) HRH2HRH3
SCHEMBL13293932 0.84 HRH2 (0.58) HRH2HRH3FAAH
SCHEMBL10689006 0.84 HRH2 (0.61) HRH2HRH3
SCHEMBL5288663 0.84 HRH2 (0.61) HRH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0159012-B1 SULFONAMIDINES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FERRER INTERNACIONAL, S.A. (ES) 1989-02-01 EP claimed
US-4571398-A Cytosine derivatives having histamine H2 -antagonist activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-02-18 US claimed
EP-0159012-A2 Sulfonamidines, a process for preparing them and pharmaceutical compositions containing them FERRER INTERNACIONAL, S.A. (ES) 1985-10-23 EP claimed
US-4526973-A Amino substituted, diketone group-containing cyclobutene derivative BRISTOL-MYERS COMPANY (US) 1985-07-02 US claimed
US-4522943-A ANTISECRETORY ANTIULCER AGENT BRISTOL-MYERS COMPANY (US) 1985-06-11 US claimed
EP-0140466-A2 Pyrimidinone derivatives, process for their preparation, and their pharmaceutical use SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-05-08 EP claimed
EP-0123920-A1 N-cyano-formamidine compounds, process for preparing them and pharmaceutical compositions containing them FERRER INTERNACIONAL, S.A. (ES) 1984-11-07 EP claimed
US-5821250-A Dihydrobenzofuran and related compounds useful as anti-inflammatory agents THE PROCTER & GAMBLE COMPANY (US) 1998-10-13 US disclosed
US-5276030-A Tranquilizers, antispasmodics, antidepressants EGIS GYOGYSZERGYAT (HU) 1994-01-04 US disclosed
US-5175163-A Tranquilizer, antidepresant, antispasmodic, analgesic and antiinflammatory agent EGIS GYOGYSZERGYAR (HU) 1992-12-29 US disclosed
EP-0180298-B1 PYRIMIDINE COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-09-25 EP disclosed
EP-0434982-A2 5-(Amino)-triazolylcarbothioamide derivatives, process for their preparation and medicines containing them, as well as use of the former EGIS GYOGYSZERGYAR (HU) 1991-07-03 EP disclosed
EP-0159012-B1 SULFONAMIDINES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FERRER INTERNACIONAL, S.A. (ES) 1989-02-01 EP disclosed
EP-0172968-A1 Aminothiadiazine derivatives as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-03-05 EP disclosed
US-4571398-A Cytosine derivatives having histamine H2 -antagonist activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-02-18 US disclosed
EP-0159012-A2 Sulfonamidines, a process for preparing them and pharmaceutical compositions containing them FERRER INTERNACIONAL, S.A. (ES) 1985-10-23 EP disclosed
EP-0143630-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-05 EP disclosed
EP-0140466-A2 Pyrimidinone derivatives, process for their preparation, and their pharmaceutical use SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-05-08 EP disclosed
EP-0134096-A2 Aminopyrimidinone derivatives as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-03-13 EP disclosed
EP-0123920-A1 N-cyano-formamidine compounds, process for preparing them and pharmaceutical compositions containing them FERRER INTERNACIONAL, S.A. (ES) 1984-11-07 EP disclosed