SCHEMBL20683449

SCHEMBL20683449

CC(N)(CCCCB(O)O)C1CCN(Cc2cccc3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
ARG1 P05089 5/20 0.51
ARG2 P78540 5/20 0.51
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRL1 P41146 2/20 0.39
OPRK1 P41145 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL30169814 0.85 ARG1 (0.73) ACHEARG1ARG2
SCHEMBL895625 0.85 ARG1 (0.73) ACHEARG1ARG2
Hydrochloric Acid SCHEMBL894489 0.84 ARG1 (0.71) ACHEARG1ARG2
SCHEMBL20683444 0.84 ARG1 (0.49) ARG1ARG2HDAC8HDAC6SLC6A4
SCHEMBL20683435 0.82 ARG1 (0.72) ACHEARG1ARG2
SCHEMBL20683475 0.81 ARG1 (0.56) ACHEARG1ARG2MEN1KMT2A
SCHEMBL20683450 0.78 ARG1 (0.57) ACHEARG1ARG2MEN1KMT2A
SCHEMBL20683441 0.77 ARG1 (0.74) ARG1ARG2MEN1KMT2A
SCHEMBL20683485 0.77 ARG1 (0.71) ARG1ARG2MEN1KMT2A
SCHEMBL10207115 0.77 ACHE (0.51) ACHEMEN1KMT2ATSHRHDAC1

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