SCHEMBL13795237

SCHEMBL13795237

COc1ccc(Cl)cc1CN[C@H]1CC[C@@H](Nc2nc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.61
ADRA2A P08913 16/20 0.61
APP P05067 2/20 0.50
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
NPY5R Q15761 3/20 0.49
HTR1A P08908 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
HTR2B P41595 1/20 0.49
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47

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
SCHEMBL13796209 0.93 MCHR1 (0.65) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13796032 0.90 MCHR1 (0.64) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13793388 0.90 MCHR1 (0.61) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13796281 0.90 MCHR1 (0.63) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13797347 0.89 MCHR1 (0.73) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13796568 0.89 MCHR1 (0.59) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795176 0.89 MCHR1 (0.64) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13793689 0.88 MCHR1 (0.63) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13796166 0.87 MCHR1 (0.59) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793510 0.87 MCHR1 (0.64) MCHR1ADRA2AAPPBCHEACHE

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