SCHEMBL8208549

SCHEMBL8208549

O=C(c1c[nH]c2ccc(F)cc12)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
PREP P48147 3/20 0.49
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
GFER P55789 1/20 0.47
CTRB1 P17538 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL8208547 1.00 NPSR1 (0.51) NPSR1PREPTSHRL3MBTL1KLK7
SCHEMBL29206541 1.00 NPSR1 (0.51) NPSR1PREPTSHRL3MBTL1KLK7
SCHEMBL30053580 1.00 NPSR1 (0.51) NPSR1PREPTSHRL3MBTL1KLK7
SCHEMBL30877842 1.00 NPSR1 (0.51) NPSR1PREPTSHRL3MBTL1KLK7
SCHEMBL30053426 1.00 NPSR1 (0.51) NPSR1PREPTSHRL3MBTL1KLK7
SCHEMBL30053286 0.91 PREP (0.48) NPSR1PREPTSHRL3MBTL1KLK7
SCHEMBL30056 0.90 GABRA1 (0.56) NPSR1PREPTSHRL3MBTL1KLK7
SCHEMBL8209315 0.90 GABRA1 (0.56) NPSR1PREPTSHRL3MBTL1KLK7
SCHEMBL30055 0.90 GABRA1 (0.56) NPSR1PREPTSHRL3MBTL1KLK7
SCHEMBL8201527 0.90 GFER (0.58) NPSR1PREPTSHRL3MBTL1KLK7

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-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US disclosed