SCHEMBL6867239

SCHEMBL6867239

CN(C)c1nc(NC2CCC(NC(=O)Nc3ccccc3Oc3ccccc3)CC2)nc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.43
ADRA2A P08913 11/20 0.43
PKM P14618 2/20 0.42
GAA P10253 2/20 0.41
ADRA1A P35348 2/20 0.39
HRH1 P35367 2/20 0.39
HTR2B P41595 2/20 0.39
HTR1A P08908 1/20 0.39
NPY5R Q15761 1/20 0.39
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
P2RY1 P47900 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL6867234 1.00 MCHR1 (0.43) MCHR1ADRA2APKMGAAADRA1A
SCHEMBL6467491 0.88 TP53 (0.47) MCHR1ADRA2AGAA
SCHEMBL6467487 0.88 TP53 (0.47) MCHR1ADRA2AGAA
SCHEMBL6874492 0.88 EPHX1 (0.54) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6874485 0.88 EPHX1 (0.54) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6872406 0.87 MCHR1 (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6868351 0.87 USP30 (0.46) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6872410 0.87 MCHR1 (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6868346 0.87 USP30 (0.46) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6457784 0.87 EPHX2 (0.50) 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