SCHEMBL28042889

SCHEMBL28042889

NCCCCCc1cnc(N)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.52
HRH3 Q9Y5N1 5/20 0.52
HRH4 Q9H3N8 5/20 0.52
HRH2 P25021 2/20 0.52
AOC3 Q16853 1/20 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
SCHEMBL12598154 0.98 HRH3 (0.50) HRH1HRH3HRH4HRH2AOC3
SCHEMBL12598153 0.92 AOC3 (0.48) HRH1HRH3HRH4HRH2AOC3
SCHEMBL3655766 0.83
SCHEMBL481044 0.80 GPR84 (0.50) HRH3AOC3
SCHEMBL14114477 0.80 AOC3 (0.46) HRH1HRH3HRH4HRH2AOC3
SCHEMBL23812457 0.78 AOC3 (0.67) HRH3AOC3
SCHEMBL17466177 0.78 AOC3 (0.41) HRH1HRH3HRH4HRH2AOC3
SCHEMBL28190577 0.76 HRH3 (0.48) HRH1HRH3HRH4HRH2
SCHEMBL17466176 0.76 AOC3 (0.42) HRH1HRH3HRH4AOC3
SCHEMBL18173529 0.73 HRH1 (0.45) HRH1HRH3HRH4HRH2

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
CN-105037680-A Permeable modified waterborne polyurethane waterproof agent SHANGHAI DONGHE ADHESIVE CO LTD 2015-11-11 CN claimed
CN-105037680-B A kind of osmosis type modified aqueous polyurethane waterproofing agent 上海东和胶粘剂有限公司 2017-12-26 CN disclosed
CN-105037680-A Permeable modified waterborne polyurethane waterproof agent SHANGHAI DONGHE ADHESIVE CO LTD 2015-11-11 CN disclosed