SCHEMBL9768615

SCHEMBL9768615

CC(C)C(CCC#CN)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.53
PKM P14618 1/20 0.40
AOC3 Q16853 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HRH1 P35367 2/20 0.35
RIPK1 Q13546 1/20 0.34
HTR2A P28223 3/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6014398 0.83 TAAR1 (0.52) TAAR1AOC3HRH1RIPK1
SCHEMBL7941653 0.81 TAAR1 (0.57) TAAR1PKMAOC3SLC6A2SLC6A4
SCHEMBL9918244 0.78 TAAR1 (0.52) TAAR1PKMAOC3SLC6A2SLC6A4
SCHEMBL9055834 0.75 TAAR1 (0.69) TAAR1PKMAOC3SLC6A2SLC6A4
SCHEMBL7511093 0.72 TAAR1 (0.59) TAAR1PKMAOC3SLC6A2SLC6A4
SCHEMBL7511084 0.72 TAAR1 (0.59) TAAR1PKMAOC3SLC6A2SLC6A4
SCHEMBL17755098 0.72 TAAR1 (0.59) TAAR1PKMAOC3SLC6A2SLC6A4
SCHEMBL5661323 0.71 TAAR1 (0.57) TAAR1PKMAOC3SLC6A2SLC6A4
SCHEMBL17363629 0.71 TAAR1 (0.57) TAAR1PKMSLC6A2SLC6A4SLC6A3
SCHEMBL12073186 0.71 TAAR1 (0.57) TAAR1PKMSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3005421-A None JP disclosed
JP-H035421-A ADMINISTRATION OF DEPRENYL MEDICINE SO AS TO REDUCE DANGER OF SIDE EFFECT DONALD A BAISUKE 1991-01-11 JP disclosed