SCHEMBL6572912

SCHEMBL6572912

O=[N+]([O-])c1ccc(OCCO)c(OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.62
CYP11B1 P15538 7/20 0.62
CYP11B2 P19099 7/20 0.62
MAPT P10636 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.51
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
PPIA P62937 1/20 0.48

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
SCHEMBL371728 0.90 MEN1 (0.70) CYP19A1CYP11B1CYP11B2MAPTMEN1
SCHEMBL31418722 0.90 MEN1 (0.70) CYP19A1CYP11B1CYP11B2MAPTMEN1
Bicarbonate SCHEMBL5503301 0.88 CYP19A1 (0.65) CYP19A1CYP11B1CYP11B2MAPTMEN1
SCHEMBL9264415 0.87 TSHR (0.67) CYP19A1CYP11B1CYP11B2MAPTKMT2A
SCHEMBL15814707 0.86 MAPT (0.62) CYP19A1CYP11B1CYP11B2MAPTMEN1
SCHEMBL6573349 0.84 PTGDR2 (0.64) CYP19A1CYP11B1CYP11B2MAPTMEN1
SCHEMBL7476491 0.84 PTGDR2 (0.64) CYP19A1CYP11B1CYP11B2MAPTMEN1
SCHEMBL10744505 0.83 CTSV (0.50) CYP19A1CYP11B1CYP11B2MAPTMEN1
SCHEMBL25289864 0.83 MAPT (0.58) CYP19A1CYP11B1CYP11B2MAPTMEN1
SCHEMBL30498823 0.83 MEN1 (0.55) CYP19A1CYP11B1CYP11B2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775689-B9 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2004-09-15 EP disclosed
CN-1134410-C Amine derivatives, process for their preparation and their use as antiarrhythmic agents �й�ʯ����������ʯ�ͻ����������ι� 2004-01-14 CN disclosed
EP-0775689-B1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2003-09-03 EP disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
CN-1169141-A Novel amine derivatives, process for their preparation and their use as antiarrhythmic agents C & C RESEARCH LABS (KR) 1997-12-31 CN disclosed
EP-0775689-A1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RESEARCH LABS. (KR) 1997-05-28 EP disclosed