SCHEMBL13808451

SCHEMBL13808451

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)c3cc(CF)cc(C(F)(F)F)c3)CC2)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 20/20 0.63
▸ ADRA2A P08913 16/20 0.63
▸ HTR1A P08908 2/20 0.61
▸ ADRA1A P35348 2/20 0.61
▸ HTR2B P41595 2/20 0.61
▸ NPY5R Q15761 5/20 0.60
▸ HRH1 P35367 1/20 0.53

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
SCHEMBL13797137 0.94 MCHR1 (0.69) MCHR1ADRA2AHTR1AADRA1AHTR2B
SCHEMBL13793477 0.91 MCHR1 (0.65) MCHR1ADRA2AHTR1AADRA1AHTR2B
SCHEMBL13797142 0.89 MCHR1 (0.80) MCHR1ADRA2AHTR1AADRA1AHTR2B
SCHEMBL13794419 0.89 MCHR1 (0.66) MCHR1ADRA2AHTR1AADRA1AHTR2B
SCHEMBL13808462 0.87 MCHR1 (0.64) MCHR1ADRA2AHTR1AADRA1AHTR2B
SCHEMBL13795038 0.87 MCHR1 (0.65) MCHR1ADRA2AHTR1AADRA1AHTR2B
SCHEMBL13797123 0.84 MCHR1 (0.67) MCHR1ADRA2AHTR1AADRA1AHTR2B
SCHEMBL13794290 0.84 MCHR1 (0.66) MCHR1ADRA2AHTR1AADRA1AHTR2B
SCHEMBL13797110 0.83 MCHR1 (0.67) MCHR1ADRA2AHTR1AADRA1AHTR2B
SCHEMBL13797083 0.83 MCHR1 (0.62) MCHR1ADRA2AHTR1AADRA1AHTR2B

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
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