SCHEMBL28638896

SCHEMBL28638896

CCCCCCCC/C=C\CCCCCCCC1=NCCN1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.48
NISCH Q9Y2I1 3/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
EPHX2 P34913 1/20 0.39
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL16305 1.00 HTR1D (0.48) HTR1DNISCHMAOAMAOBFAAH
Hydrochloric Acid SCHEMBL1230861 1.00 HTR1D (0.48) HTR1DNISCHMAOAMAOBFAAH
SCHEMBL2948718 1.00 HTR1D (0.48) HTR1DNISCHMAOAMAOBFAAH
SCHEMBL10623832 1.00 HTR1D (0.48) HTR1DNISCHMAOAMAOBFAAH
Phosphoric Acid SCHEMBL8585404 0.92 HTR1D (0.42) HTR1DEPHX2
SCHEMBL1626311 0.90 HTR1D (0.56) HTR1DNISCHMAOAMAOBADRA2B
SCHEMBL15561019 0.90 HTR1D (0.56) HTR1DNISCHMAOAMAOBADRA2B
SCHEMBL5680179 0.90 HTR1D (0.56) HTR1DNISCHMAOAMAOBADRA2B
SCHEMBL107099 0.90 HTR1D (0.56) HTR1DNISCHMAOAMAOBADRA2B
SCHEMBL7756299 0.90 HTR1D (0.56) HTR1DNISCHMAOAMAOBADRA2B

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
CN-113529094-A Corrosion prevention system and method for combining suspended sacrificial anode and inner extrusion coating in oil well bottom 西安众海石油科技有限公司 2021-10-22 CN disclosed