SCHEMBL13795362

SCHEMBL13795362

CCCc1c(CNC[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.52
ADRA2A P08913 13/20 0.52
NPY5R Q15761 11/20 0.52
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL13793380 0.95 MCHR1 (0.55) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794845 0.91 MCHR1 (0.49) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794361 0.87 MCHR1 (0.53) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794628 0.87 MCHR1 (0.57) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6873158 0.87 NPY5R (0.39) MCHR1ADRA2ANPY5R
SCHEMBL6873161 0.87 NPY5R (0.39) MCHR1ADRA2ANPY5R
SCHEMBL6880134 0.86 MCHR1 (0.37) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6459327 0.86 MCHR1 (0.37) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794735 0.85 MCHR1 (0.53) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13796170 0.84 MCHR1 (0.57) MCHR1ADRA2ANPY5RHTR1AADRA1A

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