SCHEMBL4330087

SCHEMBL4330087

CCCCOc1ccc2c(c1)CN(C(C)C)CC2

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.73
TLR7 Q9NYK1 1/20 0.50
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44

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
SCHEMBL5097463 0.85 HRH3 (1.00) HRH3
SCHEMBL18033539 0.83 HRH3 (0.58) HRH3
SCHEMBL4320078 0.81 HRH3 (0.59) HRH3
SCHEMBL24358934 0.80 HRH3 (0.58) HRH3
SCHEMBL5100700 0.80 HRH3 (0.91) HRH3
SCHEMBL8176556 0.78 HRH3 (0.59) HRH3
SCHEMBL14287752 0.78 HRH3 (0.80) HRH3
SCHEMBL10071518 0.77 HRH3 (0.55) HRH3
SCHEMBL6071411 0.76 HRH3 (1.00) HRH3
SCHEMBL18033541 0.76 HRH3 (0.50) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009118765-A2 NOVEL MONOAMINE RE-UPTAKE INHIBITOR PANACEA BIOTEC LIMITED (GB) 2009-10-01 WO disclosed