SCHEMBL7895683

SCHEMBL7895683

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.59
CNR1 P21554 4/20 0.53
CNR2 P34972 1/20 0.50
HRH4 Q9H3N8 1/20 0.48
TP53 P04637 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.43
PLEC Q15149 1/20 0.43

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
SCHEMBL13807797 0.90 CNR1 (0.64) DRD2CNR1CNR2HRH4TP53
SCHEMBL7896371 0.90 DRD2 (0.56) DRD2CNR1CNR2HRH4TP53
SCHEMBL7904011 0.88 DRD2 (0.64) DRD2CNR1CNR2HRH4TP53
SCHEMBL7896379 0.85 TP53 (0.64) DRD2CNR1CNR2TP53NPSR1
SCHEMBL7902432 0.85 DRD2 (0.59) DRD2CNR1CNR2HRH4MEN1
SCHEMBL7902959 0.84 CNR1 (0.58) DRD2CNR1CNR2HRH4TP53
SCHEMBL7897128 0.83 TP53 (0.66) DRD2CNR1CNR2TP53NPSR1
SCHEMBL7899486 0.83 NPSR1 (0.59) DRD2CNR1CNR2TP53NPSR1
SCHEMBL7903134 0.83 DRD2 (0.57) DRD2CNR1CNR2TP53SMN1; SMN2
SCHEMBL7897794 0.83 CNR1 (0.61) DRD2CNR1CNR2TP53NPSR1

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