SCHEMBL12292594

SCHEMBL12292594

BCCCCC(N)(C(=O)O)C1CCN(CCCc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 13/20 0.81
ARG2 P78540 13/20 0.81
ACLY P53396 1/20 0.43
SIGMAR1 Q99720 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
CCR5 P51681 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
SCHEMBL20683540 0.95 ARG1 (0.81) ARG1ARG2ACLYSIGMAR1
SCHEMBL895249 0.90 ARG1 (1.00) ARG1ARG2
SCHEMBL30169937 0.90 ARG1 (1.00) ARG1ARG2
Hydrochloric Acid SCHEMBL894665 0.89 ARG1 (0.98) ARG1ARG2
SCHEMBL30169803 0.85 ARG1 (1.00) ARG1ARG2
SCHEMBL895655 0.85 ARG1 (1.00) ARG1ARG2
SCHEMBL20156683 0.82 ARG1 (0.57) ARG1ARG2
SCHEMBL20156684 0.80 ARG1 (0.54) ARG1ARG2
SCHEMBL10265453 0.80 ARG1 (0.63) ARG1ARG2SIGMAR1
SCHEMBL18323843 0.78 ARG1 (0.52) ARG1ARG2ACLY

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-2011133653-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED (US) 2011-10-27 WO disclosed