SCHEMBL20156684

SCHEMBL20156684

BCCCCC(N)(C(=O)O)C1CCN(CCCc2cc(F)cc(Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 16/20 0.54
ARG2 P78540 16/20 0.54
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR2A P28223 1/20 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
SCHEMBL894569 0.91 ARG1 (0.68) ARG1ARG2
SCHEMBL30169834 0.91 ARG1 (0.68) ARG1ARG2
SCHEMBL10265453 0.82 ARG1 (0.63) ARG1ARG2
SCHEMBL20156683 0.80 ARG1 (0.57) ARG1ARG2HTR2A
SCHEMBL12292594 0.80 ARG1 (0.81) ARG1ARG2
SCHEMBL20683512 0.80 ARG1 (0.53) ARG1ARG2HTR2A
SCHEMBL18323839 0.78 ARG1 (0.38) ARG1ARG2
SCHEMBL20683540 0.77 ARG1 (0.81) ARG1ARG2
SCHEMBL20683404 0.77 ARG1 (0.61) ARG1ARG2HTR2A
SCHEMBL20485919 0.77 ARG1 (0.72) 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