SCHEMBL31483009

SCHEMBL31483009

N#Cc1cccc(OCCN)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
TBXAS1 P24557 1/20 0.54
LTA4H P09960 2/20 0.50
PLA2G2A P14555 1/20 0.50
MAP4K4 O95819 1/20 0.44
ADRA2C P18825 1/20 0.43
HRH1 P35367 1/20 0.43
CCR3 P51677 1/20 0.43
PARP1 P09874 1/20 0.43
PARP3 Q9Y6F1 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL3523783 1.00 TAAR1 (0.57) TAAR1TBXAS1LTA4HPLA2G2AMAP4K4
Hydrochloric Acid SCHEMBL1622348 0.98 TAAR1 (0.55) TAAR1TBXAS1LTA4HPLA2G2AMAP4K4
Bromide SCHEMBL3907833 0.98 TAAR1 (0.55) TAAR1TBXAS1LTA4HPLA2G2AMAP4K4
SCHEMBL233812 0.94 TAAR1 (0.50) TAAR1TBXAS1LTA4HPLA2G2AMAP4K4
SCHEMBL3903556 0.91 TBXAS1 (0.52) TAAR1TBXAS1MAP4K4HRH1CCR3
SCHEMBL13958755 0.90 TAAR1 (0.50) TAAR1TBXAS1LTA4HPLA2G2AMAP4K4
Hydrochloric Acid SCHEMBL3903275 0.90 TBXAS1 (0.51) TAAR1TBXAS1HRH1CCR3
SCHEMBL5988834 0.88 TBXAS1 (0.50) TBXAS1
SCHEMBL3105876 0.86 TBXAS1 (0.54) TBXAS1MAP4K4HRH1CCR3SMN1; SMN2
SCHEMBL7388461 0.85 TBXAS1 (0.56) TBXAS1HRH1CCR3

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-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