SCHEMBL8639478

SCHEMBL8639478

O=C(C1CCCCN1C(=O)OCc1ccccc1)N1CCCC1CO

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.65
CTRB1 P17538 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 1/20 0.52
KLK7 P49862 1/20 0.52
KLK5 Q9Y337 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
FKBP1A P62942 2/20 0.51
GFER P55789 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL10749955 0.98 PREP (0.67) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL10657139 0.98 PREP (0.67) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL1190565 0.89 SPHK2 (0.54) PREPCTRB1FKBP1A
SCHEMBL3605585 0.89 SPHK2 (0.54) PREPCTRB1FKBP1A
SCHEMBL80752 0.89 SPHK2 (0.54) PREPCTRB1FKBP1A
SCHEMBL7561453 0.88 SPHK2 (0.53) PREPCTRB1FKBP1A
SCHEMBL5267939 0.88 SPHK2 (0.58) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL809494 0.88 SPHK2 (0.58) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL4602602 0.88 SPHK2 (0.58) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8160600 0.87 PREP (0.69) PREPCTRB1NPSR1TSHRL3MBTL1

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-5847155-A Aromatic pyrrolidine amide prolyl endopeptidase inhibitors PFIZER INC (US) 1998-12-08 US disclosed