SCHEMBL7962426

SCHEMBL7962426

Nc1ccc(OC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
ALDH1A1 P00352 6/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
KCNH2 Q12809 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
DRD4 P21917 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL7962428 1.00 POLB (0.50) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL10494886 0.84 ALDH1A1 (0.58) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL7951797 0.84 POLB (0.59) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL7951796 0.84 POLB (0.59) POLBALDH1A1GAAMAPTMAPK1
Hydrochloric Acid SCHEMBL10494885 0.83 ALDH1A1 (0.57) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL7952028 0.79 L3MBTL1 (0.46) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL7952030 0.79 L3MBTL1 (0.46) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL10494871 0.79 SMN1; SMN2 (0.48) POLBALDH1A1GAAMAPTTSHR
SCHEMBL21759173 0.78 POLB (0.76) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL7690585 0.78 POLB (0.45) POLBALDH1A1GAAMAPTMAPK1

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