SCHEMBL18079494

SCHEMBL18079494

CB(O)CCCCC(N)(CCCN(C)Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ARG1 P05089 11/20 0.40
▸ ARG2 P78540 11/20 0.40
▸ SIGMAR1 Q99720 4/20 0.40
▸ TMEM97 Q5BJF2 2/20 0.40
▸ ATM Q13315 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HDAC1 Q13547 2/20 0.35

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
SCHEMBL10006086 0.93 ARG2 (0.48) ARG1ARG2SIGMAR1TMEM97
SCHEMBL18079487 0.92 ARG2 (0.43) ARG1ARG2SIGMAR1TMEM97ATM
SCHEMBL18079492 0.88 ATM (0.44) ARG1ARG2SIGMAR1TMEM97ATM
SCHEMBL18079486 0.87 ARG2 (0.46) ARG1ARG2SIGMAR1TMEM97
SCHEMBL10006164 0.85 ARG1 (0.52) ARG1ARG2SIGMAR1
SCHEMBL18079472 0.81 TMEM97 (0.44) ARG1ARG2SIGMAR1TMEM97
SCHEMBL10006244 0.81 ARG2 (0.46) ARG1ARG2SIGMAR1TMEM97ATM
SCHEMBL18079474 0.80 ARG2 (0.48) ARG1ARG2SIGMAR1MAPK1
SCHEMBL10006166 0.79 ARG1 (0.55) ARG1ARG2
SCHEMBL18079491 0.79 ARG1 (0.38) ARG1ARG2KDM4EMAPT

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
US-9447122-B2 Arginase inhibitors and methods of use thereof ASTRAZENECA AB (SE) 2016-09-20 — — US disclosed
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