SCHEMBL7861283

SCHEMBL7861283

O=[N+]([O-])c1ccc(COc2ccccc2OC(Cc2ccccc2)C2=NCCN2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.50
ADRA2B P18089 6/20 0.50
ADRA2C P18825 6/20 0.50
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
NISCH Q9Y2I1 5/20 0.43
PPIA P62937 2/20 0.43
PPIF P30405 1/20 0.43
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MAOA P21397 5/20 0.42
MAOB P27338 5/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GFER P55789 1/20 0.40

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
SCHEMBL7861142 1.00 ADRA2A (0.50) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL3169171 0.89 NISCH (0.52) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL7860101 0.85 ADRA2A (0.46) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL7854333 0.85 ADRA2B (0.46) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL7859921 0.85 ADRA2B (0.46) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL9440611 0.83 NISCH (0.50) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL7861399 0.83 ADRA2A (0.47) ADRA2AADRA2BADRA2CNPC1NISCH
SCHEMBL7854564 0.83 ADRA2A (0.47) ADRA2AADRA2BADRA2CNPC1NISCH
SCHEMBL7861066 0.83 ADRA2A (0.53) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL7864328 0.83 ADRA2A (0.53) ADRA2AADRA2BADRA2CMEN1KMT2A

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-0625969-B1 ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS MERRELL PHARMA INC (US) 2001-03-07 EP claimed
US-5407954-A Serotonin antagonism; treats depression, anxiety, hypertension and migraine headaches MERRELL DOW PHARMACEUTICALS INC. (US) 1995-04-18 US claimed
WO-1993016051-A1 ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-19 WO claimed
EP-0625969-B1 ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS MERRELL PHARMA INC (US) 2001-03-07 EP disclosed
US-5407954-A Serotonin antagonism; treats depression, anxiety, hypertension and migraine headaches MERRELL DOW PHARMACEUTICALS INC. (US) 1995-04-18 US disclosed
WO-1993016051-A1 ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-19 WO disclosed