SCHEMBL8667328

SCHEMBL8667328

Cc1cc(C)c(CCN2CCNCC2)c(C)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.71
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 3/20 0.45
SLC6A4 P31645 3/20 0.44
KCNH2 Q12809 3/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 1/20 0.42
LMNA P02545 1/20 0.40
KCNJ1 P48048 1/20 0.40
CXCR4 P61073 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL31061656 0.83 HRH3 (1.00) HRH3MEN1KMT2ASIGMAR1SLC6A3
SCHEMBL593755 0.81 LMNA (0.50) HRH3MEN1KMT2ASIGMAR1LMNA
SCHEMBL2008758 0.76 CXCR4 (0.56) HRH3MEN1KMT2ASIGMAR1LMNA
SCHEMBL22800939 0.75 SLC6A4 (0.49) HRH3MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL27423721 0.74 SIGMAR1 (0.44) HRH3MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL29193452 0.73 HRH3 (0.70) HRH3SIGMAR1SLC6A4KCNH2SLC6A2
SCHEMBL30853791 0.71 HRH3 (0.73) HRH3MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL12879708 0.71 HRH3 (0.73) HRH3MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL20676128 0.70 HRH3 (0.71) HRH3MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL9321242 0.69 SLC6A4 (0.50) HRH3SIGMAR1SLC6A4KCNH2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880512-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1998-12-02 EP disclosed
WO-1997028141-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 WO disclosed