SCHEMBL8741027

SCHEMBL8741027

CCOC(=O)N1CC2CONC2C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CHRM1 P11229 7/20 0.39
GAA P10253 3/20 0.37
RECQL P46063 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
CHRM5 P08912 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL17243882 0.80 TSHR (0.42) TSHRCHRM1GAARECQLCHRNB2
SCHEMBL950338 0.78 MEN1 (0.50) GAAHTTSMN1; SMN2L3MBTL1
SCHEMBL6212474 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15321346 0.76 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21138276 0.74 NR1H2 (0.47) TSHRCHRM1GAARECQLCHRNB2
SCHEMBL21159381 0.74 NR1H2 (0.47) TSHRCHRM1GAARECQLCHRNB2
SCHEMBL2409560 0.73 CHRM1 (0.42) TSHRCHRM1GAACHRNB2CHRNB4
SCHEMBL3067720 0.72 CHRM1 (0.39) TSHRCHRM1GAACHRNB2CHRNB4
SCHEMBL6674245 0.71 CHRM1 (0.55) TSHRCHRM1GAAALDH1A1HTT
SCHEMBL6679686 0.71 CHRM1 (0.55) TSHRCHRM1GAAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607942-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
US-5416096-A 7-(1-pyrrolidinyl)-3-quinolone carboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5059597-A Animal growth regulators; enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed
US-4990517-A 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed