SCHEMBL13794022

SCHEMBL13794022

COc1ccc2[nH]c(C(=O)N[C@H]3CC[C@@H](Nc4nc(N(C)C)c5ccccc5n4)CC3)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 15/20 0.70
▸ ADRA2A P08913 13/20 0.70
▸ HTR1A P08908 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ HRH1 P35367 1/20 0.58
▸ HTR2B P41595 1/20 0.58
▸ NPY5R Q15761 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PLCG2 P16885 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ KLK7 P49862 1/20 0.46

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
SCHEMBL13794780 0.90 MCHR1 (0.58) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13793351 0.89 MCHR1 (0.65) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13797507 0.83 MCHR1 (0.74) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13793503 0.83 MCHR1 (0.86) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13793310 0.82 MCHR1 (1.00) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13794161 0.82 MCHR1 (0.73) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13793469 0.81 MCHR1 (0.61) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13807717 0.79 MCHR1 (0.64) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13797190 0.79 MCHR1 (0.56) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4034406 0.79 MCHR1 (0.68) MCHR1ADRA2AHTR1AADRA1AHRH1

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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