SCHEMBL20683452

SCHEMBL20683452

CC(N)(CCCCB(O)O)CCNCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 8/20 0.60
ARG2 P78540 7/20 0.60
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOA P21397 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
CHRM2 P08172 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
MPO P05164 1/20 0.38

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
SCHEMBL20683360 0.88 ARG1 (0.68) ARG1ARG2MEN1KMT2ATDP1
SCHEMBL20683406 0.85 CHRM2 (0.49) ARG1ARG2MEN1KMT2ASCN8A
SCHEMBL894921 0.82 ARG1 (0.79) ARG1ARG2
Hydrochloric Acid SCHEMBL895047 0.81 ARG1 (0.77) ARG1ARG2
SCHEMBL20683425 0.80 ARG1 (0.64) ARG1ARG2
Hydrochloric Acid SCHEMBL895023 0.80 ARG1 (0.76) ARG1ARG2
SCHEMBL3438918 0.76 KMT2A (0.53) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL20683349 0.75 MTNR1A (0.48) SCN8ACHRM2
SCHEMBL20683356 0.75 ARG1 (0.45) ARG1ARG2
SCHEMBL894176 0.75 ARG1 (1.00) 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
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed