SCHEMBL20156760

SCHEMBL20156760

BCCCCC(N)(C(=O)O)C1CCN(Cc2cccc(Cn3cccn3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 10/20 0.56
ARG2 P78540 10/20 0.56
HTT P42858 1/20 0.45
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GLS O94925 3/20 0.40
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL894722 0.90 ARG1 (0.71) ARG1ARG2HTT
SCHEMBL30169899 0.90 ARG1 (0.71) ARG1ARG2HTT
Hydrochloric Acid SCHEMBL894467 0.89 ARG1 (0.70) ARG1ARG2HTT
SCHEMBL16309661 0.83 ARG1 (0.77) ARG1ARG2TSHRKMT2AMEN1
SCHEMBL19055967 0.83 ARG1 (0.77) ARG1ARG2TSHRKMT2AMEN1
SCHEMBL10265155 0.83 ARG1 (0.77) ARG1ARG2TSHRKMT2AMEN1
SCHEMBL20683407 0.77 ARG1 (0.60) ARG1ARG2HTTALDH1A1
SCHEMBL19576669 0.77 ARG1 (0.80) ARG1ARG2KMT2AMEN1ALDH1A1
SCHEMBL20683471 0.77 ARG1 (0.67) ARG1ARG2ABL1RIN1GRM2
SCHEMBL20683399 0.75 ARG1 (0.67) 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