SCHEMBL29134416

SCHEMBL29134416

CC(C)(C)OC(=O)N1CC(CN2CCC(F)C2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
NAMPT P43490 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
CNR1 P21554 1/20 0.38
GPR119 Q8TDV5 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36

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
SCHEMBL29134829 1.00 NR1H2 (0.48) NR1H2NAMPTMEN1KMT2AHPGD
SCHEMBL24033163 1.00 NR1H2 (0.48) NR1H2NAMPTMEN1KMT2AHPGD
SCHEMBL24816012 0.92 NR1H2 (0.43) NR1H2MEN1KMT2AHPGDALDH1A1
SCHEMBL24033631 0.92 NR1H2 (0.43) NR1H2MEN1KMT2AHPGDALDH1A1
SCHEMBL24033635 0.92 NR1H2 (0.43) NR1H2MEN1KMT2AHPGDALDH1A1
SCHEMBL24032960 0.90 NR1H2 (0.51) NR1H2NAMPTMEN1KMT2AHPGD
SCHEMBL21193622 0.83 HPGD (0.47) NR1H2HPGDUSP2SMN1; SMN2RECQL
SCHEMBL25949587 0.82 NR1H2 (0.40) NR1H2NAMPTMEN1KMT2AHPGD
SCHEMBL2459787 0.81 NR1H2 (0.51) NR1H2NAMPTMEN1KMT2AHPGD
SCHEMBL22565169 0.80 NR1H2 (0.45) NR1H2NAMPTMEN1KMT2AHPGD

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-116997548-A HTT modulators for the treatment of huntington's disease CHDI基金会股份有限公司 2023-11-03 CN disclosed