SCHEMBL18079486

SCHEMBL18079486

CB(O)CCCCC(N)(CCCN(C)Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ARG2 P78540 13/20 0.46
▸ ARG1 P05089 12/20 0.46
▸ TMEM97 Q5BJF2 5/20 0.42
▸ SIGMAR1 Q99720 5/20 0.42
▸ LTA4H P09960 1/20 0.38
▸ DPP7 Q9UHL4 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
SCHEMBL10006166 0.92 ARG1 (0.55) ARG2ARG1
SCHEMBL18079487 0.88 ARG2 (0.43) ARG2ARG1TMEM97SIGMAR1
SCHEMBL18079472 0.87 TMEM97 (0.44) ARG2ARG1TMEM97SIGMAR1
SCHEMBL18079494 0.87 ARG1 (0.40) ARG2ARG1TMEM97SIGMAR1
SCHEMBL18079492 0.84 ATM (0.44) ARG2ARG1TMEM97SIGMAR1LTA4H
SCHEMBL18079490 0.83 ARG1 (0.44) ARG2ARG1TMEM97SIGMAR1
SCHEMBL20683472 0.81 ARG1 (0.64) ARG2ARG1
SCHEMBL10006164 0.81 ARG1 (0.52) ARG2ARG1SIGMAR1
SCHEMBL10006212 0.80 ARG1 (0.53) ARG2ARG1TMEM97SIGMAR1
SCHEMBL18079480 0.80 ARG1 (0.52) ARG2ARG1TMEM97SIGMAR1

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
Send feedback