SCHEMBL20683406

SCHEMBL20683406

COc1ccc(CNCCC(C)(N)CCCCB(O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
SCN8A Q9UQD0 1/20 0.46
ARG1 P05089 1/20 0.44
ARG2 P78540 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
HTR2A P28223 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 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
SCHEMBL20683452 0.85 ARG1 (0.60) CHRM2SCN8AARG1ARG2GAA
SCHEMBL895647 0.84 ARG1 (0.60) CHRM2ARG1ARG2KDM4EMEN1
Hydrochloric Acid SCHEMBL895379 0.83 ARG1 (0.58) CHRM2ARG1ARG2KDM4EMEN1
Hydrochloric Acid SCHEMBL895165 0.82 ARG1 (0.57) CHRM2ARG1ARG2KDM4EMEN1
SCHEMBL20677461 0.80 MMP2 (0.32) CHRM2ARG1ARG2CA12CA1
SCHEMBL20683349 0.78 MTNR1A (0.48) CHRM2SCN8AHDAC1
SCHEMBL20683367 0.78 PPARA (0.41) ARG1ARG2MEN1KMT2AATM
SCHEMBL15363355 0.78 CHRM2 (0.54) CHRM2SCN8AGAAKDM4EMEN1
SCHEMBL2938432 0.73 CHRM2 (0.78) CHRM2SCN8AGAAKDM4EMEN1
SCHEMBL20683360 0.73 ARG1 (0.68) SCN8AARG1ARG2MEN1KMT2A

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