SCHEMBL13795248

SCHEMBL13795248

COc1ccc(CCCCN[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.58
ADRA2A P08913 13/20 0.58
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
APP P05067 3/20 0.47
BCHE P06276 3/20 0.47
ACHE P22303 3/20 0.47
MERTK Q12866 1/20 0.46
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL13796052 0.97 MCHR1 (0.59) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13795532 0.93 MCHR1 (0.61) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13796526 0.91 MCHR1 (0.55) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13796574 0.91 MCHR1 (0.55) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13795256 0.91 MCHR1 (0.55) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13795668 0.91 MCHR1 (0.55) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13794585 0.91 MCHR1 (0.55) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13796496 0.91 MCHR1 (0.55) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13796573 0.91 MCHR1 (0.55) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13795299 0.91 MCHR1 (0.55) MCHR1ADRA2AHTR1AADRA1AHRH1

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