SCHEMBL13794161

SCHEMBL13794161

COc1ccc(Br)c(C(=O)N[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 17/20 0.73
▸ ADRA2A P08913 14/20 0.73
▸ NPY5R Q15761 2/20 0.60
▸ HTR1A P08908 1/20 0.60
▸ ADRA1A P35348 1/20 0.60
▸ HRH1 P35367 1/20 0.60
▸ HTR2B P41595 1/20 0.60
▸ KLK7 P49862 1/20 0.52
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL13794320 0.89 MCHR1 (0.66) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13797507 0.89 MCHR1 (0.74) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793819 0.87 MCHR1 (0.78) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793503 0.85 MCHR1 (0.86) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793310 0.84 MCHR1 (1.00) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6879192 0.84 KLK7 (0.52) MCHR1ADRA2AKLK7TSHRMAPK1
SCHEMBL6879187 0.84 KLK7 (0.52) MCHR1ADRA2AKLK7TSHRMAPK1
SCHEMBL13797535 0.83 MCHR1 (0.75) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6878751 0.82 MCHR1 (0.49) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6878753 0.82 MCHR1 (0.49) 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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