SCHEMBL6875902

SCHEMBL6875902

COc1cc(Cl)ccc1CNCC1CCC(Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.43
ADRA2A P08913 4/20 0.43
NPY5R Q15761 2/20 0.43
ADRA1A P35348 2/20 0.39
HRH1 P35367 2/20 0.39
HTR2B P41595 2/20 0.39
MAPK1 P28482 1/20 0.38
ACHE P22303 3/20 0.38
BACE1 P56817 2/20 0.38
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
EPHX2 P34913 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 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
SCHEMBL6875897 1.00 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6876140 0.94 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6876132 0.94 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6874596 0.90 APLNR (0.44) MCHR1ADRA2ANPY5RMAPK1ACHE
SCHEMBL6459873 0.90 APLNR (0.44) MCHR1ADRA2ANPY5RMAPK1ACHE
SCHEMBL6873577 0.90 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6873584 0.90 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6873513 0.88 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6873515 0.88 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6874340 0.87 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHRH1

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