SCHEMBL5544945

SCHEMBL5544945

O=C(NC1N=CC2=CN(C(=O)c3c(F)cccc3Cl)CCC2=N1)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.38
RORC P51449 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5546597 0.81 CCR3 (0.39) GRM5L3MBTL1ALDH1A1CHRNB2CHRNA4
SCHEMBL5547993 0.80 GRM5 (0.41) GRM5L3MBTL1ALDH1A1
SCHEMBL5548541 0.72 SIRT2 (0.37) GRM5L3MBTL1RAB9ANPC1LMNA
SCHEMBL5546577 0.66 CHRM5 (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5546867 0.66 MEN1 (0.36) CHRNB2CHRNA7CHRNA4KMT2A
SCHEMBL3537033 0.62 KDR (0.50) GRM5L3MBTL1GAALMNA
SCHEMBL28975696 0.58 L3MBTL1 (0.88) GRM5L3MBTL1RAB9ANPC1PKM
SCHEMBL4877455 0.57 LMNA (0.57) NPC1GAAALDH1A1SMN1; SMN2MAPK8
SCHEMBL27878926 0.56 PDE4A (0.40) L3MBTL1RAB9ANPC1GAAALDH1A1
SCHEMBL6682650 0.56 CHRNA7 (0.62) GRM5L3MBTL1RAB9ANPC1CHRNA7

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