SCHEMBL7907196

SCHEMBL7907196

O=C(NC1CCCC1)c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1O2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.57
CNR1 P21554 1/20 0.52
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
HTR1A P08908 2/20 0.50
ADRA2A P08913 2/20 0.50
NFKB1 P19838 2/20 0.50
HTR2A P28223 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
ADRB2 P07550 1/20 0.50
CHRM2 P08172 1/20 0.50

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
SCHEMBL7899463 0.83 HRH4 (0.59) HRH4CNR1TP53SMN1; SMN2DRD2
SCHEMBL7899467 0.83 HRH4 (0.59) HRH4CNR1TP53SMN1; SMN2DRD2
SCHEMBL7904539 0.83 HRH4 (0.59) HRH4CNR1TP53SMN1; SMN2DRD2
SCHEMBL7903134 0.82 DRD2 (0.57) CNR1TP53SMN1; SMN2DRD2MEN1
SCHEMBL7895657 0.81 HRH4 (0.59) HRH4CNR1TP53SMN1; SMN2DRD2
SCHEMBL7903151 0.80 HRH4 (0.56) HRH4CNR1TP53SMN1; SMN2DRD2
SCHEMBL7904003 0.80 HRH4 (0.56) HRH4CNR1TP53SMN1; SMN2DRD2
SCHEMBL7897827 0.80 HRH4 (0.56) HRH4CNR1TP53SMN1; SMN2DRD2
SCHEMBL7905704 0.79 HRH4 (0.53) HRH4CNR1TP53SMN1; SMN2DRD2
SCHEMBL7903719 0.76 HRH4 (0.58) HRH4CNR1TP53SMN1; SMN2DRD2

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