SCHEMBL29080949

SCHEMBL29080949

O=C(O)CCc1cc(C(F)(F)F)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.47
FFAR1 O14842 6/20 0.46
FFAR4 Q5NUL3 3/20 0.46
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
TBXA2R P21731 2/20 0.43
PDE5A O76074 1/20 0.43
PDE9A O76083 1/20 0.43
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
PLA2G5 P39877 1/20 0.42
SYK P43405 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL29755981 0.83 AGBL2 (0.47) FFAR4RXRARXRBRXRGNOS3
SCHEMBL17396703 0.83 AGBL2 (0.47) FFAR4RXRARXRBRXRGNOS3
SCHEMBL17396700 0.82 AGBL2 (0.46) FFAR4RXRARXRBRXRGNOS3
Hydrochloric Acid SCHEMBL17653893 0.82 AGBL2 (0.46) FFAR4RXRARXRBRXRGNOS3
SCHEMBL2771208 0.80 L3MBTL1 (0.53) SYKALDH1A1GAAL3MBTL1
Lithium Ion SCHEMBL17396698 0.79 NOS3 (0.44) NOS3NOS2ALDH1A1GAAL3MBTL1
SCHEMBL27860893 0.79 ALDH1A1 (0.46) FFAR4NOS3NOS2TBXA2RALDH1A1
SCHEMBL29009956 0.78 FFAR1 (0.46) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL17396756 0.77 AGBL2 (0.46) FFAR4RXRARXRBRXRGNOS3
SCHEMBL4326563 0.77 ALDH1A1 (0.44) FFAR4NOS3NOS2ALDH1A1GAA

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-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed