SCHEMBL7685582

SCHEMBL7685582

CC(C)CC[C@H](C[C@@H](O)[CH]Cc1cscn1)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CTSK P43235 1/20 0.32
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2676234 0.92 MAPK1 (0.32) CTSKMAPK1NPSR1
SCHEMBL4070227 0.82 CCR1 (0.31) CCR1
SCHEMBL4068119 0.79 CCR1 (0.39) CCR1SLC1A3SLC1A2SLC1A1CTSK
SCHEMBL4063221 0.73 CCR1 (0.32) CCR1
SCHEMBL4061786 0.71 PTPRA (0.37) CCR1
SCHEMBL5795615 0.66 DPP4 (0.40) CTSKMAPK1NPSR1
SCHEMBL6832227 0.65 IL1RN (0.39) CCR1
SCHEMBL7281506 0.64 CA2 (0.42) SLC1A3SLC1A2SLC1A1CTSKMAPK1
SCHEMBL9079440 0.64 DPP4 (0.38) MAPK1NPSR1
SCHEMBL9079444 0.64 DPP4 (0.38) MAPK1NPSR1

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
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 US disclosed