SCHEMBL20156734

SCHEMBL20156734

CCCCCC(N)(CCCN1CCCCC1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 11/20 0.62
ARG2 P78540 10/20 0.62
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.43
BCHE P06276 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL14896751 0.83 ARG1 (0.61) ARG1ARG2MAPK1CYP1A2SMN1; SMN2
SCHEMBL894843 0.82 ARG1 (0.89) ARG1ARG2
Hydrochloric Acid SCHEMBL895176 0.81 ARG1 (0.87) ARG1ARG2
SCHEMBL10006081 0.81 ARG1 (0.89) ARG1ARG2
SCHEMBL7087301 0.80 ARG2 (0.55) ARG1ARG2CYP1A2ALDH1A1MEN1
SCHEMBL20156731 0.79 ARG1 (0.66) ARG1ARG2MAPK1CYP1A2SMN1; SMN2
SCHEMBL10265101 0.79 ARG1 (0.70) ARG1ARG2MAPK1CYP1A2SMN1; SMN2
SCHEMBL10266331 0.79 ARG1 (0.70) ARG1ARG2MAPK1CYP1A2SMN1; SMN2
SCHEMBL29690210 0.79 ARG1 (0.70) ARG1ARG2MAPK1CYP1A2SMN1; SMN2
SCHEMBL14088071 0.78 ARG2 (0.53) ARG1ARG2CYP1A2ALDH1A1MEN1

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