SCHEMBL31064802

SCHEMBL31064802

OB(O)Oc1cccc(F)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
LIPE Q05469 1/20 0.47
HTR1A P08908 3/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
NPC1 O15118 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
PTGER1 P34995 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL1766179 0.84 MAPT (0.56) KDM1AMAOAMAOBLIPEHTR1A
SCHEMBL30835118 0.82 LIPE (0.47) MAOBLIPEHTR1ANPC1MRGPRX4
SCHEMBL26942219 0.80 KDM1A (0.61) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL9450618 0.80 LIPE (0.51) KDM1ALIPEHTR1ASLC6A2SLC6A4
SCHEMBL5020031 0.79 KDM1A (0.54) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL27518214 0.79 LIPE (0.62) LIPEHTR1ASLC6A2SLC6A3MAPT
SCHEMBL23210246 0.78 LIPE (0.58) KDM1AMAOAMAOBLIPEHTR1A
SCHEMBL29691238 0.78 LIPE (0.58) KDM1AMAOAMAOBLIPEHTR1A
SCHEMBL4770265 0.77 THRA (0.44) KDM1AMAOAMAOBLIPESLC6A2
SCHEMBL6199847 0.77 PTPN1 (0.63) KDM1AMAOAMAOBHTR1ASLC6A2

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-114555592-B 2-Azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2024-09-06 CN disclosed