SCHEMBL28405406

SCHEMBL28405406

CC(C)OC(=O)C(CC(C)(C)C)(NC(=S)NC(=O)OCc1ccccc1)c1ccc2nccn2c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.35
RET P07949 1/20 0.33
CTSS P25774 4/20 0.32
CTSL P07711 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
NAMPT P43490 1/20 0.32
MCHR1 Q99705 1/20 0.32
OPRK1 P41145 1/20 0.32
CTSB P07858 3/20 0.31
HTRA1 Q92743 1/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL28405405 1.00 SSTR4 (0.35) SSTR4RETCTSSCTSLMEN1
SCHEMBL21112577 0.90 SSTR4 (0.38) SSTR4RETCTSSCTSLMEN1
SCHEMBL21112581 0.90 SSTR4 (0.38) SSTR4RETCTSSCTSLMEN1
SCHEMBL20908059 0.84 CTSS (0.34) CTSSCTSLMEN1KMT2AATM
SCHEMBL28407522 0.84 CTSS (0.34) CTSSCTSLMEN1KMT2AATM
SCHEMBL22579540 0.82 AAK1 (0.40) CTSSCTSLMEN1KMT2AATM
SCHEMBL29640353 0.82 OPRK1 (0.39) CTSSMEN1KMT2AOPRK1AAK1
SCHEMBL28407518 0.82 AAK1 (0.40) CTSSCTSLMEN1KMT2AATM
SCHEMBL29640239 0.82 TRPV1 (0.38) CTSSOPRK1F2PRSS1AAK1
SCHEMBL28407464 0.82 TRPV1 (0.38) CTSSOPRK1F2PRSS1AAK1

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
CN-111212832-A 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2020-05-29 CN disclosed