SCHEMBL6876370

SCHEMBL6876370

CN(C)c1ccnc(NC2CCC(NC(=O)c3ccc([N+](=O)[O-])o3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 4/20 0.48
GLA P06280 3/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MITF O75030 1/20 0.48
HPGD P15428 3/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
MCHR1 Q99705 10/20 0.43
ADRA2A P08913 4/20 0.42
HRH1 P35367 3/20 0.42
HTR2B P41595 3/20 0.42
ADRA1A P35348 1/20 0.42
MAPT P10636 1/20 0.40

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
SCHEMBL6876364 1.00 TDP1 (0.48) TDP1L3MBTL1KMT2AGLAGAA
SCHEMBL6465637 0.84 MCHR1 (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6465634 0.84 MCHR1 (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6461575 0.84 HPGD (0.53) HPGDMCHR1ADRA2AHRH1HTR2B
SCHEMBL6461579 0.84 HPGD (0.53) HPGDMCHR1ADRA2AHRH1HTR2B
SCHEMBL6457809 0.83 NPC1 (0.62) L3MBTL1KMT2AGAAKDM4EMEN1
SCHEMBL6457803 0.83 NPC1 (0.62) L3MBTL1KMT2AGAAKDM4EMEN1
SCHEMBL6464736 0.82 NPC1 (0.47) KMT2AMEN1MCHR1ADRA2AHRH1
SCHEMBL6464741 0.82 NPC1 (0.47) KMT2AMEN1MCHR1ADRA2AHRH1
SCHEMBL6458647 0.81 NPC1 (0.47) L3MBTL1KMT2AMCHR1ADRA2AHRH1

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