SCHEMBL28994459

SCHEMBL28994459

N#Cc1ccc(OC(F)(F)F)cc1N[C@@H]1CCCOC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
AR P10275 6/20 0.36
SCN9A Q15858 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 1/20 0.35
TIPARP Q7Z3E1 1/20 0.35
GALR2 O43603 2/20 0.35
GALR1 P47211 2/20 0.35
PGR P06401 1/20 0.35
KIF11 P52732 1/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
DHODH Q02127 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
SCHEMBL28994460 1.00 EPHX2 (0.37) EPHX2ARSCN9AFFAR4FFAR1
SCHEMBL24155090 0.82 TAS2R14 (0.40) ARSCN9ATIPARPCTSSCTSK
SCHEMBL25850487 0.82 TAS2R14 (0.40) ARSCN9ATIPARPCTSSCTSK
SCHEMBL3630713 0.70 PDE1B (0.41) CTSKPRKCQPRKCD
SCHEMBL3630716 0.70 PDE1B (0.41) CTSKPRKCQPRKCD
SCHEMBL28994462 0.66 DHODH (0.37) SCN9ACTSLCTSBCTSSCTSK
SCHEMBL4580776 0.65 PRKCQ (0.43) SCN9APRKCQPRKCD
SCHEMBL24155296 0.64 JAK2 (0.38) SCN9ACTSK
SCHEMBL25307503 0.64 JAK2 (0.38) SCN9ACTSK
SCHEMBL24154923 0.64 JAK2 (0.38) SCN9ACTSK

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-115867541-A Aminopyrimidinone derivatives 豪夫迈·罗氏有限公司 2023-03-28 CN disclosed