SCHEMBL7864328

SCHEMBL7864328

CC(c1ccccc1)C(Oc1ccccc1OCc1ccc([N+](=O)[O-])cc1)C1=NCCN1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 10/20 0.53
ADRA2B P18089 10/20 0.53
ADRA2C P18825 10/20 0.53
NISCH Q9Y2I1 3/20 0.47
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 2/20 0.40
PPIF P30405 1/20 0.39
PPIA P62937 1/20 0.39

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
SCHEMBL7861066 0.96 ADRA2A (0.53) ADRA2AADRA2BADRA2CNISCHNPC1
SCHEMBL7861123 0.90 ADRA2A (0.48) ADRA2AADRA2BADRA2CNISCHNPC1
SCHEMBL7861307 0.86 ADRA2A (0.48) ADRA2AADRA2BADRA2CNISCHNPC1
SCHEMBL7860118 0.85 ADRA2B (0.50) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL7861142 0.83 ADRA2A (0.50) ADRA2AADRA2BADRA2CNISCHNPC1
SCHEMBL7861283 0.83 ADRA2A (0.50) ADRA2AADRA2BADRA2CNISCHNPC1
SCHEMBL7862258 0.81 ADRA2B (0.50) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL9440611 0.80 NISCH (0.50) ADRA2AADRA2BADRA2CNISCHNPC1
SCHEMBL7860109 0.75 ADRA2B (0.47) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL7859939 0.74 ADRA2B (0.64) ADRA2AADRA2BADRA2CNISCHMAOA

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