SCHEMBL6879626

SCHEMBL6879626

CN(C)c1nc(NC2CCC(NC(=S)Nc3cc(F)cc(F)c3)CC2)nc2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.40
ADRA2A P08913 5/20 0.40
ADRA1A P35348 2/20 0.40
HRH1 P35367 2/20 0.40
HTR2B P41595 2/20 0.40
HTR1A P08908 1/20 0.37
NPY5R Q15761 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
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
SCHEMBL6879619 1.00 MCHR1 (0.40) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6878582 0.91 MCHR1 (0.47) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6878573 0.91 MCHR1 (0.47) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875201 0.90 MCHR1 (0.46) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875198 0.90 MCHR1 (0.46) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6879662 0.89 MCHR1 (0.40) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6879668 0.89 MCHR1 (0.40) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875336 0.89 GAA (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875342 0.89 GAA (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875295 0.88 MCHR1 (0.40) 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 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