SCHEMBL21737447

SCHEMBL21737447

COc1c(C)nn(C)c1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
PDE10A Q9Y233 3/20 0.31
NMT1 P30419 1/20 0.30
PDE2A O00408 2/20 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
SCHEMBL18308883 0.74 ADORA2A (0.32) ADORA2AADORA2BPDE10ANMT1
SCHEMBL7522490 0.74 GAA (0.35)
SCHEMBL15478679 0.73 ADORA2A (0.31) ADORA2AADORA2BPDE10ANMT1
SCHEMBL4678148 0.72 KDM4E (0.33)
SCHEMBL21721042 0.72 SMN1; SMN2 (0.32)
SCHEMBL21719502 0.72
SCHEMBL1685613 0.70
SCHEMBL12859164 0.70
SCHEMBL14996556 0.70 PTGS2 (0.33) PDE10ANMT1
SCHEMBL22083541 0.68 ADORA2A (0.31) ADORA2AADORA2BPDE10ANMT1PDE2A

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-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed