SCHEMBL28759293

SCHEMBL28759293

CN(C)c1nc(NC2CCC(NC(=O)Cc3cccc4ccccc34)CC2)nc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.46
ADRA2A P08913 13/20 0.46
SIGMAR1 Q99720 1/20 0.46
ADRA1A P35348 2/20 0.43
HRH1 P35367 2/20 0.43
HTR2B P41595 2/20 0.43
HTR1A P08908 1/20 0.43
NPY5R Q15761 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL6867789 1.00 MCHR1 (0.46) MCHR1ADRA2ASIGMAR1ADRA1AHRH1
SCHEMBL6878486 0.90 MCHR1 (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6878481 0.90 MCHR1 (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6873809 0.88 MCHR1 (0.44) MCHR1ADRA2ASIGMAR1ADRA1AHRH1
SCHEMBL6458745 0.88 MCHR1 (0.42) MCHR1ADRA2ASIGMAR1ADRA1AHRH1
SCHEMBL6458749 0.88 MCHR1 (0.42) MCHR1ADRA2ASIGMAR1ADRA1AHRH1
SCHEMBL6873813 0.88 MCHR1 (0.44) MCHR1ADRA2ASIGMAR1ADRA1AHRH1
SCHEMBL6831524 0.87 MCHR1 (0.45) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6831523 0.87 MCHR1 (0.45) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6876384 0.87 MCHR1 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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