SCHEMBL13794836

SCHEMBL13794836

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)Cc3sc(-c4ccccc4)nc3-c3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 16/20 0.56
▸ ADRA2A P08913 15/20 0.56
▸ NPY5R Q15761 2/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ HRH1 P35367 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ PTGDR2 Q9Y5Y4 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ SMN1; SMN2 Q16637 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
SCHEMBL13792943 0.95 MCHR1 (0.55) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795376 0.91 MCHR1 (0.52) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794668 0.87 NPY5R (0.49) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13792721 0.86 MCHR1 (0.56) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795042 0.84 MCHR1 (0.51) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794925 0.84 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793780 0.84 MCHR1 (0.67) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6872967 0.81 KMT2A (0.49) MCHR1ADRA2AHRH1HTR2BMAPT
SCHEMBL6872968 0.81 KMT2A (0.49) MCHR1ADRA2AHRH1HTR2BMAPT
SCHEMBL13793001 0.81 MCHR1 (0.59) 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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