SCHEMBL6877704

SCHEMBL6877704

CN(C)c1cc(N[C@H]2CC[C@@H](N(CC(Cl)(Cl)Cl)C(=O)O)CC2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.45
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRA2A P08913 11/20 0.39
CAMK2D Q13557 2/20 0.38
NPY5R Q15761 2/20 0.37
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
ACP1 P24666 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CLK4 Q9HAZ1 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
SCHEMBL6877712 1.00 MCHR1 (0.45) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL7112152 0.91 MCHR1 (0.46) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL7112154 0.91 MCHR1 (0.46) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6867425 0.85 MCHR1 (0.44) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6867422 0.85 MCHR1 (0.44) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6879692 0.84 MCHR1 (0.43) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6879698 0.84 MCHR1 (0.43) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6877353 0.84 MCHR1 (0.45) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6874951 0.84 MCHR1 (0.45) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6874957 0.84 MCHR1 (0.45) MCHR1KDM4ELMNASMN1; SMN2ADRA2A

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