SCHEMBL7769485

SCHEMBL7769485

COc1ccc(C(CC(C)C(N)[C@H](O)Cc2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.49
ADRB2 P07550 12/20 0.49
ADRB1 P08588 9/20 0.49
CYP19A1 P11511 1/20 0.43
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL6328526 0.89 ADRB3 (0.46) ADRB3ADRB2ADRB1CYP19A1
SCHEMBL7768576 0.86 ADRB3 (0.57) ADRB3ADRB2ADRB1
SCHEMBL6322905 0.84 ADRB3 (0.61) ADRB3ADRB2ADRB1
SCHEMBL6322913 0.84 ADRB3 (0.61) ADRB3ADRB2ADRB1
SCHEMBL7769483 0.84 ADRB3 (0.45) ADRB3ADRB2ADRB1CYP19A1
SCHEMBL6322651 0.79 ADRB3 (0.58) ADRB3
SCHEMBL6321884 0.79 ADRB3 (0.58) ADRB3
SCHEMBL7079186 0.78 KEAP1 (0.43) ADRB3ADRB2ADRB1CYP19A1
SCHEMBL4816663 0.78 CYP19A1 (0.48) ADRB3ADRB2ADRB1CYP19A1
SCHEMBL6328531 0.77 TRPV1 (0.42) ADRB3ADRB2ADRB1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed