SCHEMBL13795376

SCHEMBL13795376

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 17/20 0.52
▸ ADRA2A P08913 17/20 0.52
▸ NPY5R Q15761 7/20 0.52
▸ HTR1A P08908 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 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
SCHEMBL13794668 0.95 NPY5R (0.49) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794836 0.91 MCHR1 (0.56) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795042 0.88 MCHR1 (0.51) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794472 0.87 MCHR1 (0.51) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13792943 0.86 MCHR1 (0.55) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794414 0.86 MCHR1 (0.55) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793032 0.85 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13796247 0.83 MCHR1 (0.48) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794435 0.82 MCHR1 (0.52) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793237 0.81 NPY5R (0.58) 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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