SCHEMBL13793517

SCHEMBL13793517

Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)c(C(F)(F)F)o1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 20/20 0.66
▸ ADRA2A P08913 18/20 0.66
▸ NPY5R Q15761 5/20 0.66
▸ HTR1A P08908 2/20 0.52
▸ ADRA1A P35348 2/20 0.52
▸ HTR2B P41595 2/20 0.52
▸ HRH1 P35367 1/20 0.52

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
SCHEMBL13793260 0.90 MCHR1 (0.67) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13792762 0.90 MCHR1 (0.65) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4193669 0.88 MCHR1 (0.57) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4193662 0.88 MCHR1 (0.57) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13796745 0.87 MCHR1 (0.61) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13797115 0.86 MCHR1 (0.69) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6874781 0.85 MCHR1 (0.49) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6874786 0.85 MCHR1 (0.49) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794577 0.85 MCHR1 (0.67) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794348 0.84 MCHR1 (0.65) 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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