SCHEMBL13793989

SCHEMBL13793989

CCCCCCCCc1ccc(C(=O)NC[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 19/20 0.58
▸ ADRA2A P08913 17/20 0.58
▸ NPY5R Q15761 6/20 0.56
▸ ADRA1A P35348 2/20 0.53
▸ HRH1 P35367 2/20 0.53
▸ HTR2B P41595 2/20 0.53
▸ HTR1A P08908 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
SCHEMBL13797119 1.00 MCHR1 (0.58) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13797111 1.00 MCHR1 (0.58) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13797117 1.00 MCHR1 (0.58) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13793519 1.00 MCHR1 (0.58) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13794221 0.98 MCHR1 (0.56) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13793893 0.98 MCHR1 (0.56) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13797125 0.97 MCHR1 (0.59) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13797113 0.94 MCHR1 (0.61) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13794834 0.92 MCHR1 (0.58) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13797109 0.91 MCHR1 (0.62) MCHR1ADRA2ANPY5RADRA1AHRH1

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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