SCHEMBL20156728

SCHEMBL20156728

CCCCCC(N)(CCN1CCC(CCC)CC1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 13/20 0.56
ARG2 P78540 12/20 0.56
GNAO1 P09471 3/20 0.45
GNAI3 P08754 2/20 0.39
GNAI1 P63096 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CHRM1 P11229 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD4 P21917 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL10265381 0.91 ARG1 (0.53) ARG1ARG2GNAO1HRH3CHRM1
SCHEMBL12294008 0.89 ARG1 (0.74) ARG1ARG2
SCHEMBL894674 0.89 ARG1 (0.74) ARG1ARG2
Hydrochloric Acid SCHEMBL895761 0.88 ARG1 (0.72) ARG1ARG2
SCHEMBL20156730 0.81 KCNH2 (0.50) ARG1ARG2
SCHEMBL10264827 0.79 ARG1 (0.56) ARG1ARG2HRH3CHRM1CHRM2
SCHEMBL10265285 0.77 ARG1 (0.63) ARG1ARG2
SCHEMBL12292758 0.77 GNAO1 (0.44) GNAO1GNAI3GNAI1HRH3CHRM1
SCHEMBL20156734 0.77 ARG1 (0.62) ARG1ARG2CHRM1CHRM2CHRM4
SCHEMBL895021 0.77 ARG1 (0.77) ARG1ARG2

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-2018089490-A1 ARGINASE INHIBITOR COMBINATION THERAPIES CALITHERA BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed