SCHEMBL7860109

SCHEMBL7860109

CCC(c1ccccc1)C(Oc1ccccc1OCc1ccc(N)cc1)C1=NCCN1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 14/20 0.47
ADRA2C P18825 14/20 0.47
ADRA2A P08913 13/20 0.47
NISCH Q9Y2I1 7/20 0.43
MAOA P21397 6/20 0.41
MAOB P27338 6/20 0.41
HTR1A P08908 2/20 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
SCHEMBL7861000 0.96 ADRA2B (0.47) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL7860118 0.89 ADRA2B (0.50) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL7861123 0.86 ADRA2A (0.48) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL7862258 0.85 ADRA2B (0.50) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL7861307 0.82 ADRA2A (0.48) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL7854333 0.79 ADRA2B (0.46) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL7859921 0.79 ADRA2B (0.46) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL9440600 0.76 NISCH (0.52) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL7859939 0.75 ADRA2B (0.64) ADRA2BADRA2CADRA2ANISCHMAOA
SCHEMBL7864328 0.75 ADRA2A (0.53) ADRA2BADRA2CADRA2ANISCHMAOA

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