SCHEMBL13794282

SCHEMBL13794282

Cc1nnsc1C(=O)NC[C@H]1CC[C@@H](Nc2nc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 17/20 0.57
▸ ADRA2A P08913 17/20 0.57
▸ NPY5R Q15761 8/20 0.57
▸ HTR1A P08908 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ HTR2B P41595 1/20 0.51

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
SCHEMBL13793362 0.88 MCHR1 (0.65) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5519520 0.85 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5519509 0.85 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794290 0.84 MCHR1 (0.66) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794300 0.83 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795557 0.83 MCHR1 (0.55) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793712 0.83 MCHR1 (0.65) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13792806 0.83 MCHR1 (0.65) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793895 0.83 MCHR1 (0.57) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794012 0.82 NPY5R (0.64) 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
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