SCHEMBL31483083

SCHEMBL31483083

NCCOc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.62
CHRNA4 P43681 6/20 0.62
TAAR1 Q96RJ0 1/20 0.57
LTA4H P09960 1/20 0.50
PLA2G2A P14555 1/20 0.50
AKT1 P31749 2/20 0.49
CHUK O15111 1/20 0.49
DYRK3 O43781 1/20 0.49
ROCK2 O75116 1/20 0.49
RPS6KA5 O75582 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PIM1 P11309 1/20 0.49
PHKG2 P15735 1/20 0.49
PRKACA P17612 1/20 0.49
CLK2 P49760 1/20 0.49
PRKX P51817 1/20 0.49
PRKCD Q05655 1/20 0.49
PRKG2 Q13237 1/20 0.49
ROCK1 Q13464 1/20 0.49

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
SCHEMBL1622662 1.00 CHRNB2 (0.62) CHRNB2CHRNA4TAAR1LTA4HPLA2G2A
SCHEMBL4805267 0.90 CHRNB2 (0.61) CHRNB2CHRNA4AKT1DYRK3ROCK2
SCHEMBL20930335 0.89 CHRNB2 (0.56) CHRNB2CHRNA4TAAR1CHRNA3CHRNA7
SCHEMBL6254874 0.89 CHRNB2 (0.59) CHRNB2CHRNA4AKT1DYRK3ROCK2
SCHEMBL3530223 0.87 CHRNB2 (0.57) CHRNB2CHRNA4
SCHEMBL6253486 0.87 CHRNB2 (0.57) CHRNB2CHRNA4
SCHEMBL19875367 0.84 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL30461625 0.84 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL23982411 0.83
SCHEMBL31742565 0.82 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNA7

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-119841829-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2025-04-18 CN disclosed
CN-222637563-U Diaphragm, battery and electric equipment 江苏正力新能电池技术股份有限公司 2025-03-18 CN disclosed