SCHEMBL6880550

SCHEMBL6880550

COc1ccc(NC(=O)NC2CCC(Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.44
MCHR1 Q99705 2/20 0.44
KDR P35968 2/20 0.44
ADRA2A P08913 1/20 0.44
POLB P06746 1/20 0.42
PDGFRA P16234 2/20 0.42
PDGFRB P09619 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IGF1R P08069 1/20 0.41
APP P05067 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
KIT P10721 1/20 0.41

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
SCHEMBL6880545 1.00 MAPT (0.54) MAPTSMN1; SMN2NPSR1NPC1MCHR1
SCHEMBL6874819 0.93 MAPT (0.47) MAPTSMN1; SMN2NPSR1NPC1MCHR1
SCHEMBL6874813 0.93 MAPT (0.47) MAPTSMN1; SMN2NPSR1NPC1MCHR1
SCHEMBL6880940 0.92 IGF1R (0.51) MAPTSMN1; SMN2NPSR1NPC1MCHR1
SCHEMBL6880945 0.92 IGF1R (0.51) MAPTSMN1; SMN2NPSR1NPC1MCHR1
SCHEMBL6467407 0.91 MAPT (0.45) MAPTSMN1; SMN2NPSR1MCHR1KDR
SCHEMBL6467397 0.91 MAPT (0.45) MAPTSMN1; SMN2NPSR1MCHR1KDR
SCHEMBL6874644 0.89 MAPT (0.49) MAPTSMN1; SMN2MCHR1ADRA2APOLB
SCHEMBL6874633 0.89 MAPT (0.49) MAPTSMN1; SMN2MCHR1ADRA2APOLB
SCHEMBL6877589 0.85 EPHX1 (0.53) MAPTMCHR1KDRADRA2APDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed