SCHEMBL7899486

SCHEMBL7899486

CCOCCNC(=O)c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.59
HTT P42858 2/20 0.59
PAX8 Q06710 2/20 0.59
PLA2G1B P04054 1/20 0.59
MAPT P10636 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
TP53 P04637 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CNR1 P21554 4/20 0.54
DRD2 P14416 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.51
CNR2 P34972 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 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
SCHEMBL7897132 0.94 TP53 (0.57) NPSR1HTTPAX8PLA2G1BMAPT
SCHEMBL13807804 0.91 CNR1 (0.64) NPSR1HTTPAX8PLA2G1BMAPT
SCHEMBL7896379 0.90 TP53 (0.64) NPSR1HTTPAX8PLA2G1BMAPT
SCHEMBL7897128 0.89 TP53 (0.66) NPSR1HTTPAX8PLA2G1BMAPT
SCHEMBL7897794 0.86 CNR1 (0.61) NPSR1TP53SMN1; SMN2CNR1DRD2
SCHEMBL7896371 0.86 DRD2 (0.56) NPSR1HTTPAX8PLA2G1BMAPT
SCHEMBL7902959 0.84 CNR1 (0.58) NPSR1TP53SMN1; SMN2CNR1DRD2
SCHEMBL7905704 0.84 HRH4 (0.53) NPSR1HTTPAX8PLA2G1BMAPT
SCHEMBL7895683 0.83 DRD2 (0.59) NPSR1TP53SMN1; SMN2CNR1DRD2
SCHEMBL7904011 0.83 DRD2 (0.64) NPSR1TP53CNR1DRD2MEN1

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