SCHEMBL13349786

SCHEMBL13349786

CCCCOc1c(C)c(COc2cccc(OC3CCN(C(C)=O)CC3)c2)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
DHODH Q02127 1/20 0.40
ADAM17 P78536 3/20 0.40
CYP2D6 P10635 1/20 0.39
PRMT5 O14744 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ACACA Q13085 1/20 0.38

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
SCHEMBL13106525 0.91 CHRM4 (0.40) HRH3ACACA
SCHEMBL13106629 0.90 P2RY12 (0.42) DHODHADAM17
SCHEMBL13097135 0.90 PRMT5 (0.44) ADAM17PRMT5IKBKBCHUK
SCHEMBL13106516 0.89 HRH3 (0.44) HRH3ACACA
SCHEMBL13106528 0.87 NAMPT (0.43) HRH3DHODHADAM17CYP2D6
SCHEMBL13097142 0.82 FAAH (0.42) HRH3DHODHPRMT5
SCHEMBL13349888 0.81 CYSLTR1 (0.55) DHODHCYP2D6GPBAR1CYSLTR2CYSLTR1
SCHEMBL13107296 0.80 SLC2A1 (0.45) ADAM17
SCHEMBL13096966 0.80 ACP1 (0.43) PRMT5ACACA
SCHEMBL13349918 0.80 F10 (0.49) CYP2D6ACACA

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-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP disclosed