SCHEMBL7952028

SCHEMBL7952028

Nc1c(OC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.46
ABCB1 P08183 5/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7952030 1.00 L3MBTL1 (0.46) L3MBTL1POLBABCB1TSHRALDH1A1
SCHEMBL7961071 0.82 POLB (0.52) POLBABCB1TSHRALDH1A1MAPT
SCHEMBL7961075 0.82 POLB (0.52) POLBABCB1TSHRALDH1A1MAPT
SCHEMBL9063124 0.80 KMT2A (0.52) L3MBTL1POLBABCB1ALDH1A1KDM4E
SCHEMBL9063132 0.80 KMT2A (0.52) L3MBTL1POLBABCB1ALDH1A1KDM4E
SCHEMBL7962426 0.79 POLB (0.50) POLBTSHRALDH1A1MAPTGAA
SCHEMBL7962428 0.79 POLB (0.50) POLBTSHRALDH1A1MAPTGAA
SCHEMBL7123752 0.79 L3MBTL1 (0.41) L3MBTL1ABCB1TSHRKMT2A
SCHEMBL11080480 0.76 POLB (0.50) L3MBTL1POLBABCB1TSHRALDH1A1
SCHEMBL1137833 0.75 HTR1A (0.53) L3MBTL1POLBALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265581-B1 REACTING SPECIFIED EPOXIDE AND AMINE, REACTING PRODUCT WITH ACID TO FORM ACID ADDITION SALT ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6093735-A TREATMENT OF TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-07-25 US disclosed
US-6075040-A OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2000-06-13 US disclosed
US-6060492-A SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 2000-05-09 US disclosed
US-5977154-A OBESITY, DIABETES ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
WO-1997010825-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1997-03-27 WO disclosed
EP-0764640-A1 Selective beta3 adrenergic agonists ELI LILLY AND COMPANY (US) 1997-03-26 EP disclosed