SCHEMBL3346271

SCHEMBL3346271

C[C@H](N)C(OC(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 3/20 0.48
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
EPHX1 P07099 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL16215494 0.95 L3MBTL1 (0.51) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL14928515 0.90 L3MBTL1 (0.54) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL14928354 0.84 L3MBTL1 (0.53) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL29457630 0.83 L3MBTL1 (0.60) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL29457660 0.83 L3MBTL1 (0.60) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL3886836 0.82 L3MBTL1 (0.62) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL29457624 0.82 L3MBTL1 (0.62) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL3886835 0.82 L3MBTL1 (0.62) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL16169043 0.80 L3MBTL1 (0.55) L3MBTL1POLBADRB2ADRB1ADRB3
SCHEMBL14910295 0.79 L3MBTL1 (0.47) L3MBTL1POLBCHRM2CHRM4CHRM1

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
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 WO disclosed