SCHEMBL27632599

SCHEMBL27632599

CN(C)c1nc(N[C@H]2CC[C@@H](N(Cc3ccccc3F)C(N)=O)CC2)nc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.43
ALDH1A1 P00352 8/20 0.40
ADRA2A P08913 7/20 0.39
ADRA1A P35348 3/20 0.39
HRH1 P35367 3/20 0.39
HTR2B P41595 3/20 0.39
HTR1A P08908 1/20 0.39
NPY5R Q15761 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 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
SCHEMBL27632600 1.00 MCHR1 (0.43) MCHR1ALDH1A1ADRA2AADRA1AHRH1
SCHEMBL27632588 0.91 MCHR1 (0.37) MCHR1ALDH1A1ADRA2AADRA1AHRH1
SCHEMBL27632587 0.91 MCHR1 (0.37) MCHR1ALDH1A1ADRA2AADRA1AHRH1
SCHEMBL27631302 0.87 MCHR1 (0.44) MCHR1ALDH1A1ADRA2AADRA1AHRH1
SCHEMBL27631305 0.87 MCHR1 (0.44) MCHR1ALDH1A1ADRA2AADRA1AHRH1
SCHEMBL28757360 0.85 MCHR1 (0.44) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL28757363 0.85 MCHR1 (0.44) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL27652712 0.84 MCHR1 (0.43) MCHR1ALDH1A1ADRA2AADRA1AHRH1
SCHEMBL27652714 0.84 MCHR1 (0.43) MCHR1ALDH1A1ADRA2AADRA1AHRH1
SCHEMBL27652822 0.83 MCHR1 (0.44) MCHR1ADRA2AADRA1AHRH1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN claimed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN claimed
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN disclosed
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed