SCHEMBL9016265

SCHEMBL9016265

O=C1OCCCN1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
PIK3CD O00329 1/20 0.49
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
FAAH O00519 3/20 0.46
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SIGMAR1 Q99720 1/20 0.42
NAAA Q02083 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 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
SCHEMBL531434 0.89 GRM2 (0.52) GRM2L3MBTL1KMT2AMEN1DDB1
SCHEMBL4519506 0.88 GRM2 (0.51) GRM2L3MBTL1KMT2AMEN1DDB1
SCHEMBL13946692 0.83 SMN1; SMN2 (0.60) GRM2KMT2AMEN1PIK3CDPOLB
SCHEMBL2583214 0.78 PIK3CD (0.44) GRM2KMT2AMEN1PIK3CDPOLB
SCHEMBL2794226 0.77 L3MBTL1 (0.59) L3MBTL1KMT2AMEN1DDB1CRBN
SCHEMBL6885751 0.74 GRIN1 (0.47) GRM2PIK3CDFAAHNAAA
SCHEMBL2534297 0.74 GRM2 (0.51) GRM2PIK3CD
SCHEMBL16488375 0.74 DDB1 (0.47) L3MBTL1KMT2AMEN1DDB1CRBN
SCHEMBL4619569 0.74 SMN1; SMN2 (0.71) L3MBTL1KMT2AMEN1DDB1CRBN
SCHEMBL2581182 0.73 ACHE (0.48) KMT2AMEN1POLBKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632022-B1 Process for the preparation of amino-substituted thioethers BAYER AG (DE) 1996-12-27 EP disclosed
US-5410081-A Process for the preparation of amino-substituted thioethers BAYER AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
EP-0632022-A2 Process for the preparation of amino-substituted thioethers BAYER AG (DE) 1995-01-04 EP disclosed