SCHEMBL7198220

SCHEMBL7198220

CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
MME P08473 3/20 0.37
OPRK1 P41145 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
ANPEP P15144 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
NPY4R P50391 3/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
NPY1R P25929 2/20 0.35
NPY2R P49146 2/20 0.35
NPY5R Q15761 2/20 0.35

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
SCHEMBL7198213 1.00 OPRM1 (0.39) OPRM1OPRD1PDCD1LG2CD274MME
SCHEMBL5176099 0.86 CTSL (0.38) CTSLCTSBCTSSCTSKMMP2
SCHEMBL7201733 0.86 CTSL (0.38) CTSLCTSBCTSSCTSKMMP2
SCHEMBL6032713 0.82 MME (0.41) PDCD1LG2CD274MMENPY4RMMP2
SCHEMBL30339341 0.82 MME (0.41) PDCD1LG2CD274MMENPY4RMMP2
SCHEMBL14008029 0.81 ALDH1A1 (0.55) OPRM1CTSLCTSBCTSSCTSK
SCHEMBL30381801 0.80 MME (0.43) OPRM1OPRD1MMEOPRK1
SCHEMBL30453786 0.80 ALDH1A1 (0.53) MME
SCHEMBL30676222 0.79 ALDH1A1 (0.56) MME
SCHEMBL3777970 0.79 ALDH1A1 (0.56) MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050242-A1 Protein polymerization inhibitors and methods of use TRIPEP AB (SE) 2003-03-13 US disclosed
US-20020091086-A1 Peptides that block viral infectivity and methods of use thereof VAHLNE ANDERS (SE) 2002-07-11 US disclosed
US-6258932-B1 TRIPEPTIDE OF DEFINED AMINO ACID SEQUENCE AND HAVING A C-TERMINAL AMIDE; VIRICIDES; TREATMENT AND PREVENTION OF HUMAN IMMUNODEFICIENCY VIRUS TRIPEP AB (BE) 2001-07-10 US disclosed