SCHEMBL13797259

SCHEMBL13797259

COc1cc(CN[C@H]2CC[C@@H](CNc3nc(N(C)C)c4ccccc4n3)CC2)cc2c1OCO2

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 13/20 0.51
MCHR1 Q99705 13/20 0.51
NPY5R Q15761 11/20 0.51

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
SCHEMBL13797300 0.90 ADRA2A (0.57) ADRA2AMCHR1NPY5R
SCHEMBL13792913 0.88 ADRA2A (0.59) ADRA2AMCHR1NPY5R
SCHEMBL13797263 0.87 ADRA2A (0.55) ADRA2AMCHR1NPY5R
SCHEMBL14606998 0.85 ADRA2A (0.53) ADRA2AMCHR1NPY5R
SCHEMBL13797260 0.83 ADRA2A (0.57) ADRA2AMCHR1NPY5R
SCHEMBL13797231 0.83 ADRA2A (0.52) ADRA2AMCHR1NPY5R
SCHEMBL13797262 0.83 ADRA2A (0.56) ADRA2AMCHR1NPY5R
SCHEMBL13797267 0.80 ADRA2A (0.54) ADRA2AMCHR1NPY5R
SCHEMBL13797269 0.80 ADRA2A (0.55) ADRA2AMCHR1NPY5R
SCHEMBL13797266 0.80 ADRA2A (0.62) ADRA2AMCHR1NPY5R

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