SCHEMBL13794012

SCHEMBL13794012

CC(=O)NC[C@H]1CC[C@@H](Nc2nc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.64
MCHR1 Q99705 18/20 0.61
ADRA2A P08913 17/20 0.61
HTR1A P08908 1/20 0.57
ADRA1A P35348 1/20 0.57
HRH1 P35367 1/20 0.57
HTR2B P41595 1/20 0.57

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
SCHEMBL5519509 0.93 MCHR1 (0.62) NPY5RMCHR1ADRA2AHTR1AADRA1A
SCHEMBL5519520 0.93 MCHR1 (0.62) NPY5RMCHR1ADRA2AHTR1AADRA1A
SCHEMBL13794290 0.90 MCHR1 (0.66) NPY5RMCHR1ADRA2AHTR1AADRA1A
SCHEMBL13794014 0.90 MCHR1 (0.60) NPY5RMCHR1ADRA2AHTR1AADRA1A
SCHEMBL13795137 0.89 MCHR1 (0.62) NPY5RMCHR1ADRA2AHTR1AADRA1A
SCHEMBL13793953 0.89 MCHR1 (0.59) NPY5RMCHR1ADRA2AHTR1AADRA1A
SCHEMBL4354006 0.89 MCHR1 (0.59) NPY5RMCHR1ADRA2AHTR1AADRA1A
SCHEMBL5522584 0.88 MCHR1 (0.58) NPY5RMCHR1ADRA2AHTR1AADRA1A
SCHEMBL5522577 0.88 MCHR1 (0.58) NPY5RMCHR1ADRA2AHTR1AADRA1A
SCHEMBL13794902 0.88 MCHR1 (0.65) NPY5RMCHR1ADRA2AHTR1AADRA1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed