SCHEMBL21728161

SCHEMBL21728161

C=CCCc1cccc(C#N)c1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
TSHR P16473 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL16115312 0.79 CYP19A1 (0.40) TSHRSLC6A2SLC6A4
SCHEMBL23735874 0.77 L3MBTL1 (0.38) TSHRSLC6A2SLC6A4
SCHEMBL21736893 0.77 S1PR1 (0.32) DRD2TSHR
SCHEMBL21736887 0.77 HTR2A (0.34) TSHRSLC6A2SLC6A4
SCHEMBL24595045 0.76 TAAR1 (0.33)
SCHEMBL15417412 0.76 TSHR (0.38) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL807524 0.74 TSHR (0.46) TSHR
SCHEMBL21736892 0.72 ADRA2A (0.45) TSHRSLC6A4
SCHEMBL6516818 0.68 USP2 (0.37) DRD2
SCHEMBL13377164 0.68 GABRA1 (0.41) TSHRSLC6A2

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
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed