SCHEMBL5546909

SCHEMBL5546909

O=C(NC1N=CC2=CN(C(=O)COc3ccccc3)CCC2=N1)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GPR183 P32249 1/20 0.40
ENPP2 Q13822 2/20 0.39
PKM P14618 2/20 0.38
POLB P06746 1/20 0.38
ATF4 P18848 1/20 0.37
CPT1A P50416 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MCHR1 Q99705 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL5540977 0.80 DRD4 (0.46) MEN1KMT2ADRD4MCHR1
SCHEMBL5546932 0.80 TDP1 (0.36) MEN1KMT2APOLBDRD2DRD4
SCHEMBL5546256 0.78 CHRNA7 (0.37) MEN1KMT2ADRD4CHRNB2CHRNA7
SCHEMBL5544998 0.75 SIGMAR1 (0.41) DRD2DRD4MCHR1
SCHEMBL5546913 0.73 MEN1 (0.39) MEN1KMT2AGPR183ENPP2PKM
SCHEMBL5544982 0.72 HPGDS (0.42) SMN1; SMN2MCHR1
SCHEMBL5545031 0.72 TP53 (0.38) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL5540365 0.72 KMT2A (0.36) MEN1KMT2ADRD2DRD4ALDH1A1
SCHEMBL5545011 0.71 NPC1 (0.41) KMT2AALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL5548485 0.70 KMT2A (0.37) MEN1KMT2A

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
JP-2007534719-A 2007-11-29 JP claimed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP claimed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed