SCHEMBL13797018

SCHEMBL13797018

COc1cc(N(C)C)ccc1CNC[C@H]1CC[C@@H](Nc2nc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.68
ADRA2A P08913 17/20 0.68
NPY5R Q15761 6/20 0.68
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
APP P05067 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL13795539 0.93 MCHR1 (0.68) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13797236 0.92 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795303 0.91 MCHR1 (0.67) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793076 0.90 MCHR1 (0.66) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13796711 0.90 MCHR1 (0.65) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL14606639 0.89 MCHR1 (0.66) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795415 0.89 MCHR1 (0.66) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793713 0.88 MCHR1 (0.64) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13792903 0.88 MCHR1 (0.68) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795997 0.87 MCHR1 (0.63) 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