SCHEMBL27635477

SCHEMBL27635477

[CH2]CCN(C(C)=O)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTR2C P28335 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ESR1 P03372 1/20 0.38
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
OPRM1 P35372 1/20 0.34
KCNH2 Q12809 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 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
SCHEMBL6692681 0.81 TSHR (0.44) L3MBTL1MEN1KMT2AALDH1A1ESR1
SCHEMBL27656415 0.78 PAX8 (0.43) ALDH1A1ESR1MAPTPOLB
SCHEMBL14662132 0.77 NR1I2 (0.40) L3MBTL1MEN1KMT2AHTR2CALDH1A1
SCHEMBL7084704 0.77 L3MBTL1 (0.40) L3MBTL1MEN1KMT2AHTR2CALDH1A1
SCHEMBL27656503 0.75 ALDH1A1 (0.41) L3MBTL1KMT2AALDH1A1MAPTLMNA
SCHEMBL5544248 0.73 TAAR1 (0.41) ALDH1A1ESR1
SCHEMBL22917055 0.72 L3MBTL1 (0.58) L3MBTL1MEN1KMT2AALDH1A1ESR1
SCHEMBL6822284 0.71 MEN1 (0.41) L3MBTL1MEN1KMT2AALDH1A1ESR1
SCHEMBL10626622 0.71 TSPO (0.51) L3MBTL1MEN1KMT2AALDH1A1TP53
SCHEMBL27662352 0.71 L3MBTL1 (0.45) L3MBTL1MEN1KMT2AALDH1A1ESR1

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-1832948-B 1- alkyl-1-azoniabicyclo (2.2.2) octane carbamate derivatives and their use as muscarinic receptor antagonists S A L V A T LAB SA 2011-06-15 CN disclosed
CN-1832948-A 1- alkyl-1-azoniabicyclo (2.2.2) octane carbamate derivatives and their use as muscarinic receptor antagonists S A L V A T LAB SA (IT) 2006-09-13 CN disclosed