SCHEMBL13794826

SCHEMBL13794826

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)CCc3ccc(Cl)cc3)CC2)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 16/20 0.63
▸ ADRA2A P08913 15/20 0.63
▸ NPY5R Q15761 5/20 0.58
▸ HRH1 P35367 2/20 0.58
▸ HTR2B P41595 2/20 0.58
▸ HTR1A P08908 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ TNKS O95271 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ PARP2 Q9UGN5 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
SCHEMBL13792882 0.93 MCHR1 (0.63) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13792969 0.92 MCHR1 (0.66) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13794678 0.90 NPY5R (0.57) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13793649 0.90 MCHR1 (0.70) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13794100 0.89 MCHR1 (0.66) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13793215 0.88 MCHR1 (0.70) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13794825 0.88 MCHR1 (0.61) MCHR1ADRA2ANPY5RHRH1HTR2B
Hydrochloric Acid SCHEMBL3938806 0.88 MCHR1 (0.69) MCHR1ADRA2ANPY5RHRH1HTR2B
Hydrochloric Acid SCHEMBL3938799 0.88 MCHR1 (0.69) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13793683 0.87 MCHR1 (0.60) MCHR1ADRA2ANPY5RHRH1HTR2B

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
Send feedback