SCHEMBL7897128

SCHEMBL7897128

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

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.66
CNR1 P21554 6/20 0.62
CNR2 P34972 3/20 0.62
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 2/20 0.56
DRD2 P14416 1/20 0.55
PLA2G1B P04054 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
PAX8 Q06710 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KDM4E B2RXH2 1/20 0.53
POLB P06746 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
SCHEMBL7896379 0.95 TP53 (0.64) TP53CNR1CNR2MEN1KMT2A
SCHEMBL5063107 0.91 TP53 (0.68) TP53CNR1CNR2MEN1KMT2A
SCHEMBL7897132 0.90 TP53 (0.57) TP53CNR1CNR2MEN1KMT2A
SCHEMBL7899486 0.89 NPSR1 (0.59) TP53CNR1CNR2MEN1KMT2A
SCHEMBL7897794 0.89 CNR1 (0.61) TP53CNR1CNR2MEN1KMT2A
SCHEMBL7902959 0.86 CNR1 (0.58) TP53CNR1CNR2MEN1KMT2A
SCHEMBL7904011 0.85 DRD2 (0.64) TP53CNR1CNR2MEN1KMT2A
SCHEMBL7896371 0.85 DRD2 (0.56) TP53CNR1CNR2MEN1KMT2A
SCHEMBL7907496 0.84 DRD2 (0.55) TP53CNR1CNR2MEN1KMT2A
SCHEMBL7895683 0.83 DRD2 (0.59) TP53CNR1CNR2MEN1KMT2A

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