SCHEMBL13795265

SCHEMBL13795265

CN(C)c1nc(N[C@H]2CC[C@@H](NCCCCc3ccc([N+](=O)[O-])cc3)CC2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.59
ADRA2A P08913 14/20 0.59
GRIN2B Q13224 2/20 0.48
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
NPY5R Q15761 1/20 0.47
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
APP P05067 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 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
SCHEMBL13795465 0.90 MCHR1 (0.58) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13796526 0.89 MCHR1 (0.55) MCHR1ADRA2AGRIN2BHTR1AADRA1A
SCHEMBL13795299 0.89 MCHR1 (0.55) MCHR1ADRA2AGRIN2BHTR1AADRA1A
SCHEMBL13796573 0.89 MCHR1 (0.55) MCHR1ADRA2AGRIN2BHTR1AADRA1A
SCHEMBL13794585 0.89 MCHR1 (0.55) MCHR1ADRA2AGRIN2BHTR1AADRA1A
SCHEMBL13795668 0.89 MCHR1 (0.55) MCHR1ADRA2AGRIN2BHTR1AADRA1A
SCHEMBL13796574 0.89 MCHR1 (0.55) MCHR1ADRA2AGRIN2BHTR1AADRA1A
SCHEMBL13796496 0.89 MCHR1 (0.55) MCHR1ADRA2AGRIN2BHTR1AADRA1A
SCHEMBL13795256 0.89 MCHR1 (0.55) MCHR1ADRA2AGRIN2BHTR1AADRA1A
SCHEMBL13794751 0.88 MCHR1 (0.61) MCHR1ADRA2AHTR1AADRA1AHRH1

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 1 patent. 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