SCHEMBL8909344

SCHEMBL8909344

C=CCN[CH]CCCCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.52
ALDH1A1 P00352 2/20 0.44
FAAH O00519 3/20 0.41
TRPV1 Q8NER1 2/20 0.37
EPHX1 P07099 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
PLA2G2C Q5R387 1/20 0.31

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
SCHEMBL4119803 0.93
SCHEMBL7119890 0.83
SCHEMBL15321993 0.77 TSHR (0.52) TSHRALDH1A1FAAHTRPV1
SCHEMBL15321994 0.77 TSHR (0.52) TSHRALDH1A1FAAHTRPV1
SCHEMBL644844 0.75
SCHEMBL16892544 0.73 TSHR (0.52) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL10886305 0.73 TSHR (0.52) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL1405793 0.73 ADH1B (0.50) TSHRALDH1A1FAAHTRPV1EPHX1
SCHEMBL5646725 0.73 TSHR (0.52) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL22122694 0.73 TSHR (0.52) TSHRFAAHTRPV1EPHX1ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0360760-B1 Pipecolic acid containing cyclopeptolides, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1995-02-15 EP claimed
EP-0360760-A2 Pipecolic acid containing cyclopeptolides, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1990-03-28 EP claimed
US-5643869-A Pipecolic acid-containing peptolides, their preparation and pharmaceutical compositions containing them SANDOZ LTD. (CH) 1997-07-01 US disclosed
EP-0360760-B1 Pipecolic acid containing cyclopeptolides, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1995-02-15 EP disclosed
EP-0360760-A2 Pipecolic acid containing cyclopeptolides, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1990-03-28 EP disclosed