SCHEMBL904231

SCHEMBL904231

CCCC[C@@H](N)C(=O)C(=O)NC1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.58
DPP7 Q9UHL4 5/20 0.44
SLC15A1 P46059 1/20 0.44
DPP4 P27487 5/20 0.42
DPP8 Q6V1X1 4/20 0.41
DPP9 Q86TI2 4/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FAP Q12884 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
EPHX1 P07099 5/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL15623642 1.00 METAP1 (0.58) METAP1DPP7SLC15A1DPP4DPP8
SCHEMBL463976 0.90 METAP1 (0.45) METAP1DPP7DPP4DPP8DPP9
SCHEMBL840614 0.90 METAP1 (0.45) METAP1DPP7DPP4DPP8DPP9
SCHEMBL13274393 0.90 METAP1 (0.45) METAP1DPP7DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL27922161 0.88 METAP1 (0.44) METAP1DPP7DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL27922164 0.88 METAP1 (0.44) METAP1DPP7DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL679985 0.86 METAP1 (0.43) METAP1DPP7SLC15A1DPP4GAA
Hydrochloric Acid SCHEMBL679984 0.86 METAP1 (0.43) METAP1DPP7SLC15A1DPP4GAA
Formic Acid SCHEMBL27923729 0.84 METAP1 (0.41) METAP1DPP7SLC15A1DPP4DPP8
SCHEMBL463987 0.83 SMN1; SMN2 (0.44) METAP1DPP4GAARAB9ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014110688-A1 THIOPHENE- SUB STITUED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 WO disclosed
WO-2013034047-A1 HETEROCYCLIC-SUBSTITUED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2012142093-A2 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-10-18 WO disclosed
WO-2012041227-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2011106992-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed