SCHEMBL29581024

SCHEMBL29581024

CN1[C@@H]2CC[C@H]1CN(c1ccc(N)cc1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
GFER P55789 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 3/20 0.50
KMT2A Q03164 2/20 0.50
ADRA2C P18825 1/20 0.50
PTK2B Q14289 1/20 0.50
ESR2 Q92731 1/20 0.50
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 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
SCHEMBL22471194 1.00 MAPT (0.50) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL5832389 0.90 MAPT (0.49) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL25894890 0.89 MAPT (0.50) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL25895983 0.89 MAPT (0.50) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL1020852 0.84 APP (0.41) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL1570709 0.84 MAPT (0.42) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL24352935 0.83 L3MBTL1 (0.41) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL6617770 0.82 ADRB1 (0.42) MAPTNPSR1SLC6A2SLC6A3
SCHEMBL30598251 0.82 MAPT (0.44) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL29914525 0.81 LTA4H (0.35) SLC6A2SLC6A3

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-114591334-B Dihydropyrazolopyrimidinone derivatives 山东轩竹医药科技有限公司 2023-10-20 CN disclosed
CN-114591334-A Dihydropyrazolopyrimidinone derivatives 山东轩竹医药科技有限公司 2022-06-07 CN disclosed