SCHEMBL6867992

SCHEMBL6867992

Cc1ccc(C(=O)NCC2CCC(Nc3nccc(N(C)C)n3)CC2)cc1F

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.69
ADRA2A P08913 2/20 0.67
ADRA1A P35348 2/20 0.67
HTR2B P41595 2/20 0.67
HRH1 P35367 1/20 0.67
HTR1A P08908 1/20 0.53
MAPK14 Q16539 5/20 0.51
CYP2C9 P11712 2/20 0.46
MAPK11 Q15759 1/20 0.45

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
SCHEMBL6867985 1.00 MCHR1 (0.69) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6872145 0.93 MCHR1 (0.69) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6872150 0.93 MCHR1 (0.69) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6464738 0.93 MCHR1 (0.77) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6464732 0.93 MCHR1 (0.77) MCHR1ADRA2AADRA1AHTR2BHRH1
Hydrochloric Acid SCHEMBL6458209 0.92 MCHR1 (0.75) MCHR1ADRA2AADRA1AHTR2BHRH1
Hydrochloric Acid SCHEMBL6458202 0.92 MCHR1 (0.75) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6877048 0.88 MCHR1 (0.65) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6877057 0.88 MCHR1 (0.65) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878099 0.88 MCHR1 (0.88) MCHR1ADRA2AADRA1AHTR2BHRH1

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