SCHEMBL13795461

SCHEMBL13795461

CN(C)c1nc(NC2CCC(NCc3ccco3)CC2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.55
ADRA2A P08913 14/20 0.55
NPY5R Q15761 2/20 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
USP2 O75604 1/20 0.46
APP P05067 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 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
SCHEMBL13795523 0.91 MCHR1 (0.50) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795554 0.88 MCHR1 (0.57) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13796161 0.86 MCHR1 (0.53) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795330 0.85 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795601 0.84 MCHR1 (0.54) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795184 0.84 MCHR1 (0.54) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13797462 0.84 MCHR1 (0.54) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794451 0.84 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13796179 0.84 MCHR1 (0.54) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795150 0.84 MCHR1 (0.54) 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