SCHEMBL20683352

SCHEMBL20683352

CC(N)(CCCCB(O)O)CCN1CCN(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 8/20 0.48
ARG2 P78540 7/20 0.48
CYP2D6 P10635 1/20 0.48
KCNH2 Q12809 2/20 0.48
CHRM4 P08173 1/20 0.47
CHRM3 P20309 1/20 0.47
SIGMAR1 Q99720 3/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 1/20 0.46
KCNA3 P22001 1/20 0.44

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
SCHEMBL12292270 0.84 KCNH2 (0.51) CYP2D6KCNH2CHRM4CHRM3SIGMAR1
SCHEMBL895007 0.83 ARG1 (0.71) ARG1ARG2
Hydrochloric Acid SCHEMBL894875 0.82 ARG1 (0.69) ARG1ARG2CHRM4CHRM3
SCHEMBL20683338 0.82 DRD2 (0.54) DRD2DRD4
Hydrochloric Acid SCHEMBL894979 0.81 ARG1 (0.68) ARG1ARG2CHRM4CHRM3
SCHEMBL20683323 0.79 ARG1 (0.62) ARG1ARG2
SCHEMBL20683413 0.79 ARG1 (0.58) ARG1ARG2
SCHEMBL20683391 0.77 ARG1 (0.63) ARG1ARG2
SCHEMBL20683331 0.77 KCNA3 (0.48) ARG1ARG2SIGMAR1DRD2DRD4
SCHEMBL20683388 0.77 ARG1 (0.47) ARG1ARG2KCNA3

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
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed