SCHEMBL30629044

SCHEMBL30629044

CC1(C)CCC(c2nc(N3CCc4cc(C=O)ccc43)no2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRB2 P07550 3/20 0.34
ADRB1 P08588 3/20 0.34
ADRB3 P13945 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PRKDC P78527 5/20 0.32
LRRK2 Q5S007 1/20 0.32
GPR119 Q8TDV5 3/20 0.31
SRD5A1 P18405 1/20 0.31
AVPR1A P37288 1/20 0.31
HSD11B1 P28845 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A3 P47895 1/20 0.30

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
SCHEMBL26109423 1.00 MAPT (0.38) MAPTALDH1A1MEN1GAAHPGD
SCHEMBL26110394 0.85 MAPT (0.37) MAPTALDH1A1MEN1GAAHPGD
SCHEMBL26108155 0.85 MEN1 (0.37) MAPTALDH1A1MEN1GAAHPGD
SCHEMBL30629068 0.85 MAPT (0.37) MAPTALDH1A1MEN1GAAHPGD
SCHEMBL30629033 0.85 MEN1 (0.37) MAPTALDH1A1MEN1GAAHPGD
SCHEMBL30629075 0.85 MAPT (0.37) MAPTALDH1A1MEN1GAAHPGD
SCHEMBL26107859 0.82 NPC1 (0.45) MAPTALDH1A1GAAHPGDNPC1
SCHEMBL30629095 0.80 MEN1 (0.37) MAPTALDH1A1MEN1GAAHPGD
SCHEMBL26107631 0.80 MEN1 (0.37) MAPTALDH1A1MEN1GAAHPGD
SCHEMBL30629040 0.78 ALDH1A1 (0.38) MAPTALDH1A1MEN1GAAHPGD

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-116836157-A Oxadiazole derivative and preparation method and application thereof 星希尔生物科技(上海)有限公司 2023-10-03 CN disclosed