SCHEMBL13638815

SCHEMBL13638815

CO[C@H]1CCN(Cc2ccc(NC(=O)c3coc(N4CCC(Oc5ncccn5)CC4)n3)c(C(=O)NC3CCOCC3)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.43
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
GPR6 P46095 1/20 0.37
DRD4 P21917 2/20 0.36
DRD2 P14416 1/20 0.36
MAOB P27338 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL13634779 0.94 MCHR1 (0.43) MCHR1UTS2RGPR6IRAK4
SCHEMBL13638813 0.89 PDCD1 (0.39) MCHR1PDCD1CD274UTS2RGPR6
SCHEMBL13634601 0.89 MCHR1 (0.43) MCHR1UTS2RGPR6IRAK4
SCHEMBL13638812 0.85 GPR6 (0.39) MCHR1GPR6IRAK4
SCHEMBL13270419 0.85 F10 (0.40) MCHR1IRAK4
SCHEMBL13270762 0.84 S1PR1 (0.40) MCHR1GPR6IRAK4
SCHEMBL13634670 0.84 PARP1 (0.38) MCHR1GPR6IRAK4
SCHEMBL13634814 0.83 MCHR1 (0.39) MCHR1UTS2RIRAK4
SCHEMBL13634616 0.82 MCHR1 (0.38) MCHR1UTS2RGPR6
SCHEMBL13634816 0.82 MCHR1 (0.38) MCHR1IRAK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed