SCHEMBL7899463

SCHEMBL7899463

CCNC(=O)c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1O2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.59
DRD2 P14416 5/20 0.52
OPRD1 P41143 4/20 0.52
DRD4 P21917 3/20 0.52
CYP2D6 P10635 3/20 0.52
HTR1A P08908 3/20 0.52
ADRA2A P08913 3/20 0.52
HTR2A P28223 3/20 0.52
OPRK1 P41145 3/20 0.52
KCNH2 Q12809 3/20 0.52
HRH2 P25021 3/20 0.52
HRH1 P35367 3/20 0.52
DRD1 P21728 3/20 0.52
DRD3 P35462 3/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
PMP22 Q01453 2/20 0.52
KMT2A Q03164 2/20 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
SCHEMBL7897827 0.90 HRH4 (0.56) HRH4DRD2OPRD1DRD4CYP2D6
SCHEMBL7895657 0.89 HRH4 (0.59) HRH4DRD2OPRD1DRD4CYP2D6
SCHEMBL7905704 0.88 HRH4 (0.53) HRH4DRD2OPRD1DRD4CYP2D6
SCHEMBL7903151 0.88 HRH4 (0.56) HRH4DRD2OPRD1DRD4CYP2D6
SCHEMBL7899467 0.86 HRH4 (0.59) HRH4DRD2OPRD1DRD4CYP2D6
SCHEMBL7904539 0.86 HRH4 (0.59) HRH4DRD2OPRD1DRD4CYP2D6
SCHEMBL7904003 0.84 HRH4 (0.56) HRH4DRD2OPRD1DRD4CYP2D6
SCHEMBL7907196 0.83 HRH4 (0.57) HRH4DRD2OPRD1DRD4CYP2D6
SCHEMBL7903719 0.80 HRH4 (0.58) HRH4DRD2OPRD1DRD4CYP2D6
SCHEMBL1367220 0.78 HRH4 (0.64) HRH4DRD2OPRD1DRD4CYP2D6

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
WO-2010062565-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2010-06-03 WO disclosed