SCHEMBL29098003

SCHEMBL29098003

FC(F)(F)c1cccc(COc2ccc3c(c2)CNCC3)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.54
ASIC3 Q9UHC3 1/20 0.52
MAPT P10636 2/20 0.50
NR4A2 P43354 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOA P21397 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
S1PR1 P21453 1/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47

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
SCHEMBL30198766 1.00 MAOB (0.54) MAOBASIC3MAPTNR4A2POLB
SCHEMBL30199485 0.86 MAOB (0.55) MAOBMAOAS1PR1
SCHEMBL29098086 0.86 MAOB (0.55) MAOBMAOAS1PR1
Hydrochloric Acid SCHEMBL29098075 0.85 MAOB (0.54) MAOBMAOAS1PR1
Hydrochloric Acid SCHEMBL30199460 0.85 MAOB (0.54) MAOBMAOAS1PR1
SCHEMBL30199170 0.85 MAOB (0.56) MAOBNR4A2MAOA
SCHEMBL29097880 0.85 MAOB (0.56) MAOBNR4A2MAOA
SCHEMBL30488232 0.84 MAOB (0.60) MAOBMAPTNR4A2POLBHTT
SCHEMBL29474892 0.82 HRH3 (0.59) MAOBMAOA
SCHEMBL3503754 0.82 HRH3 (0.59) MAOBMAOA

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-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 CN disclosed