SCHEMBL6873305

SCHEMBL6873305

COc1ccccc1C(=O)NC1CCC(Nc2ncc(C)c(N(C)C)n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.68
ADRA2A P08913 7/20 0.68
HRH1 P35367 5/20 0.68
HTR2B P41595 5/20 0.68
ADRA1A P35348 3/20 0.66
CDK1 P06493 6/20 0.52
CDK4 P11802 5/20 0.52
CCND1 P24385 5/20 0.52
CDK2 P24941 5/20 0.52
ULK1 O75385 1/20 0.49

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
SCHEMBL6873298 1.00 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457703 0.89 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457709 0.89 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464245 0.89 MCHR1 (0.67) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464237 0.89 MCHR1 (0.67) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878425 0.89 MCHR1 (0.72) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878434 0.89 MCHR1 (0.72) MCHR1ADRA2AHRH1HTR2BADRA1A
Hydrochloric Acid SCHEMBL6462525 0.86 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6879271 0.86 MCHR1 (0.71) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874087 0.86 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BADRA1A

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