SCHEMBL13797184

SCHEMBL13797184

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)c3cc(I)cc(I)c3O)CC2)nc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 18/20 0.61
▸ ADRA2A P08913 18/20 0.61
▸ NPY5R Q15761 7/20 0.61
▸ 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
SCHEMBL13792837 0.88 MCHR1 (0.64) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL14607003 0.86 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13797179 0.85 MCHR1 (0.61) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13797186 0.85 MCHR1 (0.68) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793300 0.84 MCHR1 (0.64) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793514 0.84 MCHR1 (0.64) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13796500 0.84 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL14606903 0.84 MCHR1 (0.66) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793712 0.83 MCHR1 (0.65) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13797140 0.83 MCHR1 (0.65) 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
Send feedback