SCHEMBL20683408

SCHEMBL20683408

BCCCCC(N)(C(=O)O)C1CCN(Cc2cccc3cccnc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 11/20 0.50
ARG2 P78540 11/20 0.50
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 3/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1F P30939 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 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
SCHEMBL894216 0.90 ARG1 (0.65) ARG1ARG2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL895235 0.89 ARG1 (0.64) ARG1ARG2KMT2AALDH1A1
SCHEMBL20683513 0.81 HDAC6 (0.40) HTR5A
SCHEMBL20683414 0.81 ARG1 (0.50) ARG1ARG2ALDH1A1HTR1AHTR1D
SCHEMBL20683430 0.79 ARG1 (0.51) ARG1ARG2ALDH1A1
SCHEMBL20683511 0.79 ARG1 (0.57) ARG1ARG2ALDH1A1HTR7
SCHEMBL28258408 0.79 ALDH1A1 (0.44) KMT2AALDH1A1MEN1CYP3A4CYP2D6
SCHEMBL20683483 0.78 ARG1 (0.56) ARG1ARG2KMT2AALDH1A1MEN1
SCHEMBL10265155 0.78 ARG1 (0.77) ARG1ARG2KMT2AMEN1
SCHEMBL16309661 0.78 ARG1 (0.77) ARG1ARG2KMT2AMEN1

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