SCHEMBL9199669

SCHEMBL9199669

COc1ccccc1OC(Cc1ccccc1)C1=NCCN1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 15/20 0.64
ADRA2C P18825 15/20 0.64
ADRA2A P08913 14/20 0.64
MAOA P21397 8/20 0.57
MAOB P27338 8/20 0.57
NISCH Q9Y2I1 8/20 0.57
HTR1A P08908 3/20 0.46

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
SCHEMBL9206145 0.91 ADRA2B (0.60) ADRA2BADRA2CADRA2AMAOAMAOB
SCHEMBL9199785 0.90 MAOA (0.52) ADRA2BADRA2CADRA2AMAOAMAOB
SCHEMBL9640404 0.90 ADRA2B (0.65) ADRA2BADRA2CADRA2AMAOAMAOB
SCHEMBL9201690 0.88 ADRA2B (0.67) ADRA2BADRA2CADRA2AMAOAMAOB
SCHEMBL9199553 0.88 ADRA2A (0.61) ADRA2BADRA2CADRA2AMAOAMAOB
SCHEMBL7854252 0.86 MAOA (0.59) ADRA2BADRA2CADRA2AMAOAMAOB
SCHEMBL3169171 0.86 NISCH (0.52) ADRA2BADRA2CADRA2AMAOAMAOB
SCHEMBL7861399 0.85 ADRA2A (0.47) ADRA2BADRA2CADRA2AMAOAMAOB
SCHEMBL7854564 0.85 ADRA2A (0.47) ADRA2BADRA2CADRA2AMAOAMAOB
SCHEMBL7861118 0.85 MAOA (0.53) ADRA2BADRA2CADRA2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0423802-B1 Phenoxy-heterocyclic compounds MERRELL DOW PHARMA (US) 1995-08-09 EP disclosed
US-5134154-A Phenoxy-heterocyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-28 US disclosed
EP-0423802-A1 Phenoxy-heterocyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-24 EP disclosed