SCHEMBL5637780

SCHEMBL5637780

CC1CC(CCCN)CCN1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
ARG1 P05089 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL26972976 0.88 ARG1 (0.33) ARG1
SCHEMBL22312944 0.82 CYP1A2 (0.45) ARG1DRD3SLC6A3
SCHEMBL3719924 0.80 DRD3 (0.39) ARG1DRD3SLC6A3
SCHEMBL15795597 0.79
SCHEMBL24564842 0.78 DRD3 (0.47) DRD3SLC6A3
SCHEMBL14079710 0.77 CHRNA7 (0.36) ARG1DRD3SLC6A3
SCHEMBL23710744 0.77 CHRNA7 (0.36) ARG1DRD3SLC6A3
SCHEMBL13560157 0.77 CHRNA7 (0.36) ARG1DRD3SLC6A3
SCHEMBL3913369 0.75 ARG1 (0.36) ARG1DRD3SLC6A3
SCHEMBL13652271 0.75 ARG1 (0.36) ARG1DRD3SLC6A3

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
US-7217710-B2 Substituted pyrazolopyrimidines SMITHKLINE BEECHAM CORPORATION (US) 2007-05-15 US disclosed