SCHEMBL6874136

SCHEMBL6874136

COc1cc(C(=O)N[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.56
ADRA2A P08913 10/20 0.56
SMN1; SMN2 Q16637 1/20 0.48
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
NPY5R Q15761 1/20 0.47
CXCR6 O00574 2/20 0.47
MAPT P10636 2/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 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
SCHEMBL6874142 1.00 MCHR1 (0.56) MCHR1ADRA2ASMN1; SMN2HTR1AADRA1A
SCHEMBL6874537 0.93 MCHR1 (0.56) MCHR1ADRA2ASMN1; SMN2HTR1AADRA1A
SCHEMBL6877264 0.91 MCHR1 (0.54) MCHR1ADRA2ASMN1; SMN2HTR1AADRA1A
SCHEMBL6877272 0.91 MCHR1 (0.54) MCHR1ADRA2ASMN1; SMN2HTR1AADRA1A
SCHEMBL6467582 0.89 MCHR1 (0.70) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6467597 0.89 MCHR1 (0.70) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6463284 0.88 SMN1; SMN2 (0.57) MCHR1ADRA2ASMN1; SMN2CXCR6MAPT
SCHEMBL6463274 0.88 SMN1; SMN2 (0.57) MCHR1ADRA2ASMN1; SMN2CXCR6MAPT
SCHEMBL6467397 0.87 MAPT (0.45) MCHR1ADRA2ASMN1; SMN2MAPT
SCHEMBL6467407 0.87 MAPT (0.45) MCHR1ADRA2ASMN1; SMN2MAPT

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