SCHEMBL28769997

SCHEMBL28769997

CN(C)C(=O)c1cnn(C2CCCCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
KDM5B Q9UGL1 1/20 0.39
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
MCL1 Q07820 1/20 0.37
FGFR1 P11362 3/20 0.35
CD274 Q9NZQ7 1/20 0.35
DDR2 Q16832 1/20 0.35
FLT3 P36888 2/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
PSMB8 P28062 1/20 0.34

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
SCHEMBL5139638 0.83 ACHE (0.43) ACHEKDM5BCYP4F2CYP4A11RXRA
Fluoride SCHEMBL14796503 0.83 ACHE (0.43) ACHEKDM5BCYP4F2CYP4A11RXRA
SCHEMBL29218328 0.82 ACHE (0.43) ACHEKDM5BCYP4F2CYP4A11RXRA
SCHEMBL6519027 0.82 ACHE (0.46) ACHEKDM5BCYP4F2CYP4A11RXRA
SCHEMBL30320777 0.79 ACHE (0.52) ACHEKDM5BCYP4F2CYP4A11RXRA
SCHEMBL13035463 0.79 OGA (0.45) ACHEKDM5BCYP4F2CYP4A11RXRA
SCHEMBL26162667 0.75 ALDH1A1 (0.38) ACHEKDM5BCYP4F2CYP4A11RXRA
SCHEMBL24469879 0.75 ACHE (0.40) ACHEKDM5BCYP4F2CYP4A11RXRA
SCHEMBL31434801 0.75 KDM5B (0.36) ACHEKDM5BCYP4F2CYP4A11RXRA
SCHEMBL23535740 0.74 MCL1 (0.47) KDM5BCYP4F2CYP4A11RXRARXRB

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
CN-114685490-B Pyrrolopyridine compound and application thereof 南京再明医药有限公司 2025-03-28 CN disclosed
CN-114685490-A Pyrrolopyridine compound and application thereof 江苏先声药业有限公司 2022-07-01 CN disclosed