SCHEMBL6872197

SCHEMBL6872197

CN(C)c1nc(NC2CCC(CNC(=O)c3ccc([N+](=O)[O-])s3)CC2)nc2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
MCHR1 Q99705 9/20 0.43
ADRA2A P08913 4/20 0.43
ADRA1A P35348 2/20 0.43
HTR2B P41595 2/20 0.43
HRH1 P35367 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTR1A P08908 1/20 0.41
RAB9A P51151 1/20 0.41
NPY5R Q15761 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
MITF O75030 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL6872194 1.00 KMT2A (0.49) KMT2AMCHR1ADRA2AADRA1AHTR2B
SCHEMBL6458189 0.89 SMN1; SMN2 (0.55) KMT2AMCHR1ADRA2AADRA1AHTR2B
SCHEMBL6458182 0.89 SMN1; SMN2 (0.55) KMT2AMCHR1ADRA2AADRA1AHTR2B
SCHEMBL6878427 0.87 MCHR1 (0.46) KMT2AMCHR1ADRA2AADRA1AHTR2B
SCHEMBL6878431 0.87 MCHR1 (0.46) KMT2AMCHR1ADRA2AADRA1AHTR2B
SCHEMBL6873487 0.86 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873490 0.86 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL13793247 0.84 MCHR1 (0.56) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6880466 0.82 MCHR1 (0.46) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6880462 0.82 MCHR1 (0.46) MCHR1ADRA2AADRA1AHTR2BHRH1

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