SCHEMBL7970016

SCHEMBL7970016

CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NCC(O)COc1cccc2[nH]ccc12

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.77
ADRB1 P08588 4/20 0.76
ADRB2 P07550 4/20 0.76

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
SCHEMBL7970013 1.00 ADRB3 (0.77) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL7959888 0.99 ADRB3 (0.77) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL7959883 0.99 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL7976392 0.93 ADRB3 (0.67) ADRB3ADRB1ADRB2
SCHEMBL7973641 0.93 ADRB3 (0.67) ADRB3ADRB1ADRB2
SCHEMBL7973553 0.92 ADRB3 (0.66) ADRB3ADRB1ADRB2
SCHEMBL7951533 0.91 ADRB3 (0.64) ADRB3ADRB1ADRB2
SCHEMBL7951530 0.91 ADRB3 (0.64) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL7963704 0.91 ADRB3 (0.63) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL7963699 0.91 ADRB3 (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001036411-A1 CRYSTALLINE SALTS OF (S)-4-(3-[N-(2-[4-(5-CARBAMOYL-2-PYRIDYLOXY)PHENYL]-1,1-DIMETHYLETHYL)AMINO]-2-HYDROXYPROPOXY)INDOLE ELI LILLY AND COMPANY (US) 2001-05-25 WO disclosed
WO-2001036411-A1 CRYSTALLINE SALTS OF (S)-4-(3-[N-(2-[4-(5-CARBAMOYL-2-PYRIDYLOXY)PHENYL]-1,1-DIMETHYLETHYL)AMINO]-2-HYDROXYPROPOXY)INDOLE ELI LILLY AND COMPANY (US) 2001-05-25 WO disclosed
WO-2001036411-A1 CRYSTALLINE SALTS OF (S)-4-(3-[N-(2-[4-(5-CARBAMOYL-2-PYRIDYLOXY)PHENYL]-1,1-DIMETHYLETHYL)AMINO]-2-HYDROXYPROPOXY)INDOLE ELI LILLY AND COMPANY (US) 2001-05-25 WO disclosed