SCHEMBL3411549

SCHEMBL3411549

O=C(Nc1ccccn1)c1c(=O)[nH]n2c(=O)c3c([nH]c12)CCCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PKM P14618 2/20 0.49
MAPT P10636 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 5/20 0.43
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
CRHR2 Q13324 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL3410031 0.84 MAPT (0.52) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL3411680 0.82 MAPT (0.47) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL3410083 0.81 LMNA (0.48) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL25720362 0.78 ALDH1A1 (0.68) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL3411768 0.78 MAPT (0.46) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL3408312 0.77 TDP1 (0.49) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL3411765 0.76 MAPT (0.43) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL3409992 0.76 POLB (0.50) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL3408224 0.73 MAPT (0.50) SMN1; SMN2MAPTTDP1L3MBTL1ALDH1A1
SCHEMBL3405825 0.73 MAPT (0.55) NPC1RAB9ASMN1; SMN2PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264035-A1 Glycine B antagonists Merz Pharma GmbH & Co. KGaA (DE) 2010-12-22 EP claimed
EP-2264035-A1 Glycine B antagonists Merz Pharma GmbH & Co. KGaA (DE) 2010-12-22 EP disclosed