SCHEMBL7899478

SCHEMBL7899478

O=C(NCc1ccncc1)c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.64
CNR2 P34972 1/20 0.61
DRD2 P14416 3/20 0.54
POLB P06746 1/20 0.54
TP53 P04637 5/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PLA2G1B P04054 1/20 0.44
HTT P42858 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL13807807 0.91 CNR1 (0.77) CNR1CNR2POLBTP53LMNA
SCHEMBL7897125 0.91 CNR1 (0.64) CNR1CNR2DRD2POLBLMNA
SCHEMBL7905749 0.88 CNR1 (0.61) CNR1CNR2DRD2POLBTP53
SCHEMBL7897129 0.88 CNR1 (0.60) CNR1CNR2DRD2POLBTP53
SCHEMBL7896379 0.85 TP53 (0.64) CNR1CNR2DRD2POLBTP53
SCHEMBL5057259 0.84 CNR1 (0.83) CNR1CNR2POLBTP53LMNA
SCHEMBL7904011 0.84 DRD2 (0.64) CNR1CNR2DRD2POLBTP53
SCHEMBL7902959 0.84 CNR1 (0.58) CNR1CNR2DRD2POLBTP53
SCHEMBL7897128 0.83 TP53 (0.66) CNR1CNR2DRD2POLBTP53
SCHEMBL7897794 0.82 CNR1 (0.61) CNR1CNR2DRD2TP53LMNA

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