SCHEMBL6874138

SCHEMBL6874138

Cc1ccccc1CNCC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.46
ADRA2A P08913 8/20 0.46
NPY5R Q15761 3/20 0.46
CXCR4 P61073 1/20 0.40
HTR2B P41595 4/20 0.40
ADRA1A P35348 3/20 0.40
HRH1 P35367 3/20 0.40
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ACHE P22303 3/20 0.38
HTR1A P08908 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6874132 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RCXCR4HTR2B
SCHEMBL6869130 0.91 MCHR1 (0.46) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6869135 0.91 MCHR1 (0.46) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6874651 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6874661 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6878940 0.87 MCHR1 (0.48) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6457942 0.87 MCHR1 (0.48) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6463203 0.86 MCHR1 (0.49) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6876819 0.86 MCHR1 (0.49) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6876551 0.86 ALDH1A1 (0.46) MCHR1ADRA2ANPY5RCXCR4HTR2B

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