SCHEMBL6866532

SCHEMBL6866532

CN(C)c1cc(NC2CCC(NC(=O)NCc3ccccc3F)CC2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRA2A P08913 10/20 0.45
HTR1A P08908 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
NPY5R Q15761 1/20 0.45
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 1/20 0.44
PPIA P62937 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
EPHX1 P07099 1/20 0.39
HPGD P15428 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
SCHEMBL6866528 1.00 MCHR1 (0.47) MCHR1MEN1KMT2AADRA2AHTR1A
SCHEMBL6878977 0.90 MCHR1 (0.46) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6878983 0.90 MCHR1 (0.46) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6463327 0.89 MCHR1 (0.45) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6463322 0.89 MCHR1 (0.45) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6868164 0.88 MCHR1 (0.49) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6868157 0.88 MCHR1 (0.49) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6877078 0.85 MCHR1 (0.45) MCHR1MEN1KMT2AADRA2AHTR1A
SCHEMBL6877072 0.85 MCHR1 (0.45) MCHR1MEN1KMT2AADRA2AHTR1A
SCHEMBL6877613 0.84 MCHR1 (0.48) MCHR1ADRA2AHTR1AADRA1AHRH1

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