SCHEMBL27836717

SCHEMBL27836717

CCCC1CCCCN1C.FC(F)F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
ADRA2A P08913 2/20 0.44
CHRM1 P11229 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 3/20 0.38
HTR2A P28223 3/20 0.38
HTR7 P34969 3/20 0.38
HTR6 P50406 3/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 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
SCHEMBL3476022 0.92 CYP1A2 (0.64) CYP1A2ADRA2ACHRM1ALDH1A1DRD2
SCHEMBL1760663 0.92 CYP1A2 (0.64) CYP1A2ADRA2ACHRM1ALDH1A1DRD2
Hydrochloric Acid SCHEMBL30330842 0.90 CYP1A2 (0.62) CYP1A2ADRA2ACHRM1ALDH1A1DRD2
Fluoride SCHEMBL30212759 0.90 CYP1A2 (0.62) CYP1A2ADRA2ACHRM1ALDH1A1DRD2
SCHEMBL27958325 0.89 CYP1A2 (0.53) CYP1A2ADRA2ACHRM1ALDH1A1DRD2
Cyanide SCHEMBL30330259 0.86 CYP1A2 (0.58) CYP1A2ADRA2ACHRM1ALDH1A1DRD2
SCHEMBL11921 0.86
SCHEMBL11926 0.86
SCHEMBL60463 0.86
SCHEMBL27924513 0.84 CYP1A2 (0.50) CYP1A2ADRA2A

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-102352206-A Pressure-sensitive adhesive for polaroid YANTAI DARBOND ELECTRONICS MATERIALS CO LTD 2012-02-15 CN disclosed