SCHEMBL20683404

SCHEMBL20683404

BCCCCC(N)(C(=O)O)C1CCN(CCc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 9/20 0.61
ARG2 P78540 9/20 0.61
GRM2 Q14416 2/20 0.49
GRM3 Q14832 2/20 0.49
HTR2A P28223 1/20 0.49
OPRD1 P41143 4/20 0.47
SIGMAR1 Q99720 1/20 0.47
OPRM1 P35372 3/20 0.46
OPRK1 P41145 3/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL10265453 0.94 ARG1 (0.63) ARG1ARG2GRM2GRM3SIGMAR1
SCHEMBL19055967 0.88 ARG1 (0.77) ARG1ARG2GRM2GRM3SIGMAR1
SCHEMBL16309661 0.88 ARG1 (0.77) ARG1ARG2GRM2GRM3SIGMAR1
SCHEMBL10265155 0.88 ARG1 (0.77) ARG1ARG2GRM2GRM3SIGMAR1
SCHEMBL894867 0.88 ARG1 (0.80) ARG1ARG2
SCHEMBL27903250 0.88 ARG1 (0.80) ARG1ARG2
Hydrochloric Acid SCHEMBL27921005 0.87 ARG1 (0.78) ARG1ARG2
SCHEMBL20683512 0.85 ARG1 (0.53) ARG1ARG2HTR2ASIGMAR1
SCHEMBL20683471 0.84 ARG1 (0.67) ARG1ARG2GRM2GRM3
SCHEMBL894654 0.82 ARG1 (0.80) ARG1ARG2GRM2GRM3

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
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed