SCHEMBL5548738

SCHEMBL5548738

CCOc1ccccc1C(=O)N1C=C2C=NC(NC(=O)c3cccc(F)c3)N=C2CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR6 P50406 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 3/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTDSP1 Q9GZU7 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
SCHEMBL5540334 0.79 USP2 (0.38) HTR7LMNAUSP2SMN1; SMN2ALDH1A1
SCHEMBL5545006 0.78 MAPT (0.40) HTR7HTTLMNAUSP2MAPT
SCHEMBL5545049 0.77 CCNE1 (0.39) NPC1RAB9AMEN1KMT2A
SCHEMBL5548741 0.76 SMN1; SMN2 (0.41) HTR7HTR1ADRD2HTR6TDP1
SCHEMBL5546598 0.75 HPGDS (0.37) DRD2MEN1KMT2ACCR3
SCHEMBL5546851 0.73 KMT2A (0.39) MAPTRAB9AMEN1KMT2ACCR3
SCHEMBL5548143 0.73 MAPT (0.43) HTTLMNAMAPTSMN1; SMN2RAB9A
SCHEMBL5546890 0.71 KMT2A (0.43) HTTUSP2MAPTSMN1; SMN2NPC1
SCHEMBL15643184 0.69 F2 (0.40) HTR7HTR1ANPC1RAB9AMEN1
SCHEMBL5546694 0.68 HTR3A (0.45) DRD2HTTCCR3

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