SCHEMBL30169925

SCHEMBL30169925

NC(CCCCB(O)O)(C(=O)O)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 16/20 0.80
ARG2 P78540 16/20 0.80
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL895490 1.00 ARG1 (0.80) ARG1ARG2CYP3A4CYP2D6CYP2C19
SCHEMBL894259 0.89 ARG1 (1.00) ARG1ARG2TP53MAPT
SCHEMBL20683443 0.89 ARG1 (0.63) ARG1ARG2CYP3A4CYP2D6CYP2C19
SCHEMBL12292192 0.89 ARG1 (0.64) ARG1ARG2LMNATP53MAPT
Hydrochloric Acid SCHEMBL894561 0.88 ARG1 (0.98) ARG1ARG2TP53MAPT
SCHEMBL12293026 0.88 ARG1 (0.63) ARG1ARG2LMNATP53MAPT
SCHEMBL894098 0.83 ARG1 (0.89) ARG1ARG2NPC1RAB9ALMNA
SCHEMBL894099 0.83 ARG1 (0.89) ARG1ARG2NPC1RAB9ALMNA
SCHEMBL894063 0.83 ARG1 (0.67) ARG1ARG2MEN1KMT2A
SCHEMBL19055915 0.83 ARG1 (0.64) 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-2023283332-A1 USES OF ARGINASE INHIBITORS FOR MANAGING KIDNEY DISEASE AND CARDIOVASCULAR CONDITIONS EMORY UNIVERSITY (US) 2023-01-12 WO disclosed