SCHEMBL29466269

SCHEMBL29466269

NC1CCN(C(=O)c2cccc(-c3nc4ccccc4[nH]3)n2)CC1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LANCL2 Q9NS86 1/20 0.80
PIM1 P11309 1/20 0.48
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD11B1 P28845 1/20 0.46
HTR2B P41595 7/20 0.45
ATR Q13535 2/20 0.44
SSTR2 P30874 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDE10A Q9Y233 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
RBP4 P02753 1/20 0.42

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
SCHEMBL25311793 1.00 LANCL2 (0.80) LANCL2PIM1PARP1PARP2MEN1
SCHEMBL29063415 0.91 LANCL2 (0.84) LANCL2MEN1KMT2AHSD11B1HTR2B
Omilancor SCHEMBL17706588 0.90 LANCL2 (1.00) LANCL2MEN1KMT2AHSD11B1HTR2B
Omilancor SCHEMBL29349469 0.90 LANCL2 (1.00) LANCL2MEN1KMT2AHSD11B1HTR2B
SCHEMBL29484591 0.87 LANCL2 (0.77) LANCL2HTR2B
SCHEMBL25310510 0.87 LANCL2 (0.77) LANCL2HTR2B
SCHEMBL18805072 0.86 LANCL2 (0.88) LANCL2MEN1KMT2AHTR2BATR
SCHEMBL21043129 0.86 LANCL2 (0.93) LANCL2MEN1KMT2AHSD11B1HTR2B
SCHEMBL17705594 0.86 LANCL2 (0.88) LANCL2PARP1MEN1KMT2AHSD11B1
SCHEMBL25312485 0.85 LANCL2 (0.74) LANCL2MEN1KMT2AHSD11B1HTR2B

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-114195780-A Carbonyl heterocyclic compound and application thereof 上海医药集团股份有限公司 2022-03-18 CN disclosed
CN-114195806-A Carbonyl heterocyclic compound and application thereof 上海医药集团股份有限公司 2022-03-18 CN disclosed