SCHEMBL7960965

SCHEMBL7960965

O=c1[nH]c2cccc(OCC(O)CN(Cc3ccccc3)Cc3ccccc3)c2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.56
ADRB2 P07550 5/20 0.56
ADRB1 P08588 5/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
ALOX15 P16050 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.55
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
CASR P41180 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
POLB P06746 2/20 0.46
ABCB1 P08183 2/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL7960959 1.00 ADRB3 (0.56) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL11585329 0.88 ADRB3 (0.48) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL8180863 0.86 DRD2 (0.51) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL8180860 0.86 DRD2 (0.51) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL10714025 0.81 ADRB3 (0.42) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL11231537 0.80 DRD2 (0.66) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7962966 0.78 POLB (0.53) MEN1CYP1A2KMT2ADRD2CYP2D6
SCHEMBL13959117 0.78 ADRB3 (0.70) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL4816774 0.78 ADRB3 (0.66) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL4816760 0.78 ADRB3 (0.66) ADRB3ADRB2ADRB1MEN1CYP1A2

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 8 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
EP-0764640-A1 Selective beta3 adrenergic agonists ELI LILLY AND COMPANY (US) 1997-03-26 EP disclosed
US-4310527-A DISORDERS OF CAROIAC RHYTHM AND CORONARY HEART DISEASES AND HYDPERTENSION CIBA-GEIGY CORPORATION (US) 1982-01-12 US disclosed
US-4140789-A ADRENERGIC BLOCKING AGENTS, CARDIOTONIC, ANTIARRHYTHMIA, HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1979-02-20 US disclosed