SCHEMBL9784844

SCHEMBL9784844

CCC(N1CCNC(c2ccccc2)C1)n1c(=O)ccn(N)c1=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.35
▸ PDE10A Q9Y233 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.31

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
SCHEMBL7081245 0.72 TAAR1 (0.40) GSK3BPDE10A
SCHEMBL9784846 0.70 GSK3B (0.38) GSK3BPDE10ARPS6KB1
SCHEMBL7085098 0.69 POLB (0.39) —
SCHEMBL10349652 0.69 PDE10A (0.40) GSK3BPDE10ARPS6KB1
Hydrochloric Acid SCHEMBL10382640 0.67 GSK3B (0.40) GSK3BPDE10ARPS6KB1
SCHEMBL19629766 0.66 PDE10A (0.38) GSK3BPDE10A
SCHEMBL11707727 0.66 OPRD1 (0.37) GSK3BPDE10ARPS6KB1
SCHEMBL21498090 0.66 KDM4E (0.40) GSK3BPDE10ARPS6KB1
SCHEMBL17103086 0.65 SLC6A2 (0.36) —
SCHEMBL7013419 0.63 GSK3B (0.42) GSK3BPDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3044379-A — — None — — JP disclosed
JP-H0344379-A N3-PIPERAZINOURACIL DERIVATIVE YAMASA SHOYU CO LTD 1991-02-26 — — JP disclosed
Send feedback