SCHEMBL20156683

SCHEMBL20156683

BCCCCC(N)(C(=O)O)C1CCN(CCCc2ccc(F)cc2F)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 9/20 0.57
ARG2 P78540 9/20 0.57
HTR2A P28223 8/20 0.43
HTR2C P28335 8/20 0.43
KCNH2 Q12809 6/20 0.43
DRD2 P14416 4/20 0.43
OPRM1 P35372 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
SCHEMBL894204 0.90 ARG1 (0.71) ARG1ARG2
SCHEMBL30169941 0.90 ARG1 (0.71) ARG1ARG2
Hydrochloric Acid SCHEMBL895812 0.89 ARG1 (0.70) ARG1ARG2
SCHEMBL12292594 0.82 ARG1 (0.81) ARG1ARG2
SCHEMBL20156684 0.80 ARG1 (0.54) ARG1ARG2HTR2A
SCHEMBL10265453 0.80 ARG1 (0.63) ARG1ARG2KCNH2
SCHEMBL20683512 0.80 ARG1 (0.53) ARG1ARG2HTR2AHTR2C
SCHEMBL20683540 0.77 ARG1 (0.81) ARG1ARG2
SCHEMBL20683404 0.77 ARG1 (0.61) ARG1ARG2HTR2AOPRM1
SCHEMBL20683407 0.76 ARG1 (0.60) 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