SCHEMBL7951530

SCHEMBL7951530

CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cc2)cc1)NC[C@H](O)COc1cccc2[nH]ccc12

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.64
ADRB1 P08588 5/20 0.63
ADRB2 P07550 5/20 0.63
CYP2D6 P10635 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
CASR P41180 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KCNH2 Q12809 1/20 0.56

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
SCHEMBL7951533 1.00 ADRB3 (0.64) ADRB3ADRB1ADRB2CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL7963704 0.99 ADRB3 (0.63) ADRB3ADRB1ADRB2CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL7963699 0.99 ADRB3 (0.63) ADRB3ADRB1ADRB2CYP2D6SLC6A2
SCHEMBL7970016 0.91 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL7970013 0.91 ADRB3 (0.77) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL7959883 0.91 ADRB3 (0.77) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL7959888 0.91 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL6393880 0.86 ADRB3 (0.55) ADRB3ADRB1ADRB2CYP2D6SLC6A2
SCHEMBL6393871 0.86 ADRB3 (0.55) ADRB3ADRB1ADRB2CYP2D6SLC6A2
SCHEMBL7976392 0.86 ADRB3 (0.67) ADRB3ADRB1ADRB2

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 5 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-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