SCHEMBL29214260

SCHEMBL29214260

O=C(O)C1CN(C(F)C(F)F)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
NOTUM Q6P988 1/20 0.30
APLNR P35414 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
PMP22 Q01453 1/20 0.30
GABRA6 Q16445 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
SCHEMBL29014812 0.84 NOTUM (0.40) MAPTNOTUM
SCHEMBL28998849 0.78 MAPT (0.39) MAPTCYP2C19POLBNOTUMGABRP
SCHEMBL10021552 0.71 MAPT (0.50) MAPTCYP2C19POLBNOTUMAPLNR
SCHEMBL29173291 0.69 PDK2 (0.33)
SCHEMBL29226681 0.68 S1PR5 (0.38) MAPTPOLBS1PR1S1PR5
SCHEMBL2222066 0.68 MAPT (0.39) MAPTPOLBNOTUMAPLNRS1PR1
SCHEMBL22978696 0.67 ALDH1A1 (0.45) MAPTNOTUMTSHR
SCHEMBL29005251 0.67 MAPT (0.31) MAPTAPLNR
SCHEMBL13101700 0.67 APLNR (0.38) MAPTPOLBAPLNRS1PR1S1PR5
SCHEMBL13905844 0.65 CHRM1 (0.38) MAPTPOLBS1PR1S1PR5

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-113993850-B Modulators of integrated stress response pathways 埃沃特克国际有限责任公司 2024-03-29 CN disclosed