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SCHEMBL13797231

SCHEMBL13797231

COc1cc(CNCC[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)cc2c1OCO2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 11/20 0.52
▸ MCHR1 Q99705 11/20 0.52
▸ NPY5R Q15761 5/20 0.52
▸ APP P05067 2/20 0.45
▸ BCHE P06276 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ ALKBH5 Q6P6C2 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
SCHEMBL13792913 0.92 ADRA2A (0.59) ADRA2AMCHR1NPY5RAPPBCHE
SCHEMBL13797300 0.89 ADRA2A (0.57) ADRA2AMCHR1NPY5RAPPBCHE
SCHEMBL13797234 0.84 MCHR1 (0.64) ADRA2AMCHR1NPY5RAPPBCHE
SCHEMBL13797239 0.83 MCHR1 (0.58) ADRA2AMCHR1NPY5RAPPBCHE
SCHEMBL13797259 0.83 ADRA2A (0.51) ADRA2AMCHR1NPY5R
SCHEMBL13797240 0.83 MCHR1 (0.59) ADRA2AMCHR1NPY5RAPPBCHE
SCHEMBL13797237 0.81 MCHR1 (0.56) ADRA2AMCHR1NPY5RAPPBCHE
SCHEMBL13797236 0.81 MCHR1 (0.60) ADRA2AMCHR1NPY5RAPPBCHE
SCHEMBL13797238 0.81 MCHR1 (0.59) ADRA2AMCHR1NPY5RAPPBCHE
SCHEMBL13797249 0.80 MCHR1 (0.61) 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