SCHEMBL18079491

SCHEMBL18079491

CB(O)CCCCC(N)(CCCNc1ccc(-c2ccc(Cl)c(Cl)c2)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ARG1 P05089 15/20 0.38
▸ ARG2 P78540 15/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GCGR P47871 2/20 0.34

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
SCHEMBL18079736 0.92 ARG1 (0.46) ARG1ARG2
SCHEMBL18079494 0.79 ARG1 (0.40) ARG1ARG2KDM4EMAPT
SCHEMBL10008908 0.78 ARG1 (0.55) ARG1ARG2
SCHEMBL10008910 0.73 ARG1 (0.47) ARG1ARG2
SCHEMBL18079487 0.72 ARG2 (0.43) ARG1ARG2
SCHEMBL10006086 0.72 ARG2 (0.48) ARG1ARG2
SCHEMBL19055955 0.71 ARG1 (0.47) ARG1ARG2LMNAMAPTRAB9A
SCHEMBL18079474 0.71 ARG2 (0.48) ARG1ARG2
SCHEMBL894933 0.70 ARG1 (0.57) ARG1ARG2
SCHEMBL18079447 0.70 ARG1 (0.44) 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
US-9447122-B2 Arginase inhibitors and methods of use thereof ASTRAZENECA AB (SE) 2016-09-20 — — US disclosed
Send feedback