SCHEMBL6879806

SCHEMBL6879806

CN(C)c1nc(N[C@H]2CC[C@@H](CNCc3ccc(Cl)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 2/20 0.47
MCHR1 Q99705 10/20 0.44
ADRA2A P08913 6/20 0.43
HTR2B P41595 4/20 0.43
HRH1 P35367 3/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPY5R Q15761 4/20 0.40
ADRA1A P35348 3/20 0.40
HTR1A P08908 1/20 0.36
CXCR4 P61073 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 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
SCHEMBL6879811 1.00 L3MBTL1 (0.47) L3MBTL1LMNAMCHR1ADRA2AHTR2B
SCHEMBL6874292 0.91 MCHR1 (0.49) L3MBTL1LMNAMCHR1ADRA2AHTR2B
SCHEMBL6874290 0.91 MCHR1 (0.49) L3MBTL1LMNAMCHR1ADRA2AHTR2B
SCHEMBL6878464 0.91 MCHR1 (0.40) L3MBTL1LMNAMCHR1ADRA2AHTR2B
SCHEMBL6874010 0.91 MCHR1 (0.40) L3MBTL1LMNAMCHR1ADRA2AHTR2B
SCHEMBL6878470 0.91 MCHR1 (0.40) L3MBTL1LMNAMCHR1ADRA2AHTR2B
SCHEMBL6874002 0.91 MCHR1 (0.40) L3MBTL1LMNAMCHR1ADRA2AHTR2B
SCHEMBL6876551 0.91 ALDH1A1 (0.46) L3MBTL1LMNAMCHR1ADRA2AHTR2B
SCHEMBL6876546 0.91 ALDH1A1 (0.46) L3MBTL1LMNAMCHR1ADRA2AHTR2B
SCHEMBL6876575 0.90 MCHR1 (0.43) L3MBTL1LMNAMCHR1ADRA2AHTR2B

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