SCHEMBL29039239

SCHEMBL29039239

O=C(O)c1cccc(OC[C@@H]2CCCN2)c1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.67
CHRNA3 P32297 2/20 0.67
LTA4H P09960 5/20 0.54
KMT2A Q03164 1/20 0.52
NR1H4 Q96RI1 1/20 0.52

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
SCHEMBL29039242 1.00 CHRNB4 (0.67) CHRNB4CHRNA3LTA4HKMT2ANR1H4
SCHEMBL28290177 0.96 CHRNB4 (0.62) CHRNB4CHRNA3LTA4HKMT2ANR1H4
SCHEMBL30344019 0.88 CHRNB4 (0.66) CHRNB4CHRNA3LTA4H
SCHEMBL26999492 0.86 CHRNB4 (0.63) CHRNB4CHRNA3LTA4H
SCHEMBL29039262 0.86 CHRNB4 (0.63) CHRNB4CHRNA3LTA4H
SCHEMBL30344804 0.85 CHRNB4 (0.61) CHRNB4CHRNA3LTA4H
SCHEMBL5155735 0.83 LTA4H (0.62) CHRNA3LTA4H
SCHEMBL5155727 0.83 LTA4H (0.62) CHRNA3LTA4H
SCHEMBL3830309 0.81 CHRNB4 (1.00) CHRNB4CHRNA3LTA4H
SCHEMBL4313010 0.80 LTA4H (0.67) CHRNB4CHRNA3LTA4H

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-116234802-A Quinoline CGAS antagonist compounds 免疫传感器治疗股份有限公司 2023-06-06 CN disclosed