SCHEMBL8518464

SCHEMBL8518464

CCCCCCCCCCCCN(CC)CCCC(C)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.47
CACNA1F O60840 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
DRD3 P35462 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
PLA2G1B P04054 1/20 0.46
PLA2G2A P14555 1/20 0.46
SPHK1 Q9NYA1 1/20 0.39
DNM1 Q05193 5/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL29171486 0.85 SIGMAR1 (0.47) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL557630 0.85 SIGMAR1 (0.41) KCNH2CACNA1FCHRM2ADRA2BADRA2C
Bromide SCHEMBL9575763 0.84 KCNH2 (0.47) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL7759986 0.83 SPHK1 (0.42) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL28870461 0.83 SPHK1 (0.42) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL7759653 0.83 SPHK1 (0.42) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL7754965 0.83 SPHK1 (0.42) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL7759983 0.83 SPHK1 (0.42) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL8398889 0.83 CA12 (0.37) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL3100521 0.83 CA12 (0.37) KCNH2CACNA1FCHRM2ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748310-B1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 1999-06-02 EP disclosed
US-5827881-A ADMINISTERING FOR TREATMENT OF VIRAL DISEASES OR AS ANTIINFLAMMATORY AGENTS ITALFARMACO S.P.A. (IT) 1998-10-27 US disclosed
EP-0748310-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.p.A. (IT) 1996-12-18 EP disclosed
WO-1995023128-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.P.A. (IT) 1995-08-31 WO disclosed