SCHEMBL3727253

SCHEMBL3727253

COc1c(N)cccc1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
P2RX7 Q99572 1/20 0.43
TSHR P16473 1/20 0.43
PRKDC P78527 1/20 0.43
AKR1C3 P42330 1/20 0.43
GAA P10253 3/20 0.42
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL27293546 0.83 KEAP1 (0.59) LMNASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL30923161 0.83 KEAP1 (0.59) LMNASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL25527740 0.83 GAA (0.53) LMNAALDH1A1GAAMAPTMEN1
SCHEMBL3433100 0.82 ADRA2C (0.64) LMNAALDH1A1GAAMAPTL3MBTL1
SCHEMBL25528036 0.81 PDCD1LG2 (0.35) LMNASMN1; SMN2ALDH1A1P2RX7TSHR
Hydrochloric Acid SCHEMBL6354856 0.81 ADRA2C (0.62) LMNAALDH1A1GAAMAPTL3MBTL1
SCHEMBL4435301 0.80 LGMN (0.50) LGMNLMNASMN1; SMN2ALDH1A1PRKDC
SCHEMBL26099996 0.79 GAA (0.42) LMNASMN1; SMN2ALDH1A1P2RX7GAA
SCHEMBL30393203 0.79 GAA (0.42) LMNASMN1; SMN2ALDH1A1P2RX7GAA
SCHEMBL13075047 0.78 PRKDC (0.41) LMNASMN1; SMN2ALDH1A1P2RX7TSHR

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
WO-2023078411-A1 AZASPIRO COMPOUND 南京明德新药研发有限公司 2023-05-11 WO disclosed
WO-2010125103-A1 DIKETOPIPERAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed