SCHEMBL6880381

SCHEMBL6880381

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)NCc3cccc(F)c3)CC2)nc2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.51
ADRA2A P08913 11/20 0.51
MAPK1 P28482 1/20 0.45
ADRA1A P35348 4/20 0.43
HRH1 P35367 3/20 0.43
HTR2B P41595 3/20 0.43
HTR1A P08908 1/20 0.43
NPY5R Q15761 1/20 0.43
DRD2 P14416 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1B P35368 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
OPRL1 P41146 1/20 0.42
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6875251 0.90 MCHR1 (0.50) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875259 0.90 MCHR1 (0.50) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6458549 0.90 MCHR1 (0.50) MCHR1ADRA2AMAPK1ADRA1AHRH1
SCHEMBL6458561 0.90 MCHR1 (0.50) MCHR1ADRA2AMAPK1ADRA1AHRH1
SCHEMBL6875063 0.90 MCHR1 (0.47) MCHR1ADRA2AMAPK1ADRA1AHRH1
SCHEMBL6875068 0.90 MCHR1 (0.47) MCHR1ADRA2AMAPK1ADRA1AHRH1
SCHEMBL6875039 0.89 EPHX1 (0.51) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875033 0.89 EPHX1 (0.51) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6873172 0.86 MCHR1 (0.50) MCHR1ADRA2AMAPK1ADRA1AHRH1
SCHEMBL6873166 0.86 MCHR1 (0.50) MCHR1ADRA2AMAPK1ADRA1AHRH1

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