SCHEMBL6880541

SCHEMBL6880541

CN(C)c1cc(NC2CCC(CNC(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.41
ADRA2A P08913 2/20 0.41
ACACB O00763 6/20 0.39
ACACA Q13085 5/20 0.39
NPY5R Q15761 2/20 0.38
KCNH2 Q12809 1/20 0.38
VCP P55072 1/20 0.37
HTR2A P28223 1/20 0.36
HTR4 Q13639 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 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
SCHEMBL6463002 0.91 MCHR1 (0.45) MCHR1ADRA2AACACBACACANPY5R
SCHEMBL6463001 0.91 MCHR1 (0.45) MCHR1ADRA2AACACBACACANPY5R
SCHEMBL6877314 0.90 MCHR1 (0.47) MCHR1ADRA2AALDH1A1RXFP1MEN1
SCHEMBL4034150 0.85 MCHR1 (0.57) MCHR1ADRA2ANPY5R
SCHEMBL4034147 0.85 MCHR1 (0.57) MCHR1ADRA2ANPY5R
SCHEMBL6872666 0.83 MCHR1 (0.43) MCHR1ADRA2AVCPHTR2AHTR4
SCHEMBL6872664 0.83 MCHR1 (0.43) MCHR1ADRA2AVCPHTR2AHTR4
SCHEMBL6458468 0.83 BCHE (0.46) MCHR1ADRA2AALDH1A1SMN1; SMN2MEN1
SCHEMBL6458481 0.83 BCHE (0.46) MCHR1ADRA2AALDH1A1SMN1; SMN2MEN1
SCHEMBL6458474 0.83 BCHE (0.46) MCHR1ADRA2AALDH1A1SMN1; SMN2MEN1

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