SCHEMBL20156727

SCHEMBL20156727

CCCCCC(N)(CCC1Cc2ccccc2CN1CCC(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.45
ARG2 P78540 2/20 0.45
ALDH1A1 P00352 1/20 0.36
NAMPT P43490 4/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
BCL2 P10415 3/20 0.34
MMP8 P22894 2/20 0.34
MMP3 P08254 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ACE P12821 2/20 0.33

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
SCHEMBL894766 0.90 ARG1 (0.60) ARG1ARG2
SCHEMBL30169903 0.90 ARG1 (0.60) ARG1ARG2
Hydrochloric Acid SCHEMBL894753 0.89 ARG1 (0.59) ARG1ARG2
SCHEMBL20683436 0.81 ARG1 (0.46) ARG1ARG2OPRM1OPRD1OPRK1
SCHEMBL895122 0.80 ARG2 (0.61) ARG1ARG2
SCHEMBL30170003 0.80 ARG2 (0.61) ARG1ARG2
SCHEMBL10265625 0.80 ARG1 (0.46) ARG1ARG2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL895078 0.80 ARG1 (0.60) ARG1ARG2
SCHEMBL895121 0.78 ARG2 (0.63) ARG1ARG2
SCHEMBL30169798 0.78 ARG2 (0.63) 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-2018089490-A1 ARGINASE INHIBITOR COMBINATION THERAPIES CALITHERA BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed