SCHEMBL6538711

SCHEMBL6538711

NC(=O)Nc1ccc(CC(CO)NC[C@H](O)COc2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.82
ADRB1 P08588 17/20 0.82
MAPT P10636 1/20 0.50
ADRB2 P07550 3/20 0.47
CYP2D6 P10635 1/20 0.47
OPRK1 P41145 1/20 0.46

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
SCHEMBL6538626 0.90 ADRB3 (1.00) ADRB3ADRB1MAPTADRB2
SCHEMBL6538997 0.89 ADRB3 (0.82) ADRB3ADRB1MAPTADRB2CYP2D6
Hydrochloric Acid SCHEMBL6538594 0.89 ADRB3 (0.98) ADRB3ADRB1MAPTADRB2
SCHEMBL6538446 0.88 ADRB3 (0.80) ADRB3ADRB1MAPTADRB2
SCHEMBL6539933 0.85 ADRB3 (0.85) ADRB3ADRB1MAPTADRB2CYP2D6
SCHEMBL7531125 0.85 ADRB3 (0.86) ADRB3ADRB1MAPTADRB2
SCHEMBL7692859 0.85 ADRB3 (0.79) ADRB3ADRB1MAPTADRB2CYP2D6
SCHEMBL6538702 0.85 ADRB3 (0.74) ADRB3ADRB1ADRB2
SCHEMBL6538774 0.84 ADRB3 (0.88) ADRB3ADRB1ADRB2
SCHEMBL7041978 0.84 ADRB3 (0.74) ADRB3ADRB1ADRB2CYP2D6

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
US-6826033-B2 BETA 3 ADRENERGIC RECEPTOR AGONISTS; TREATMENT OF POLLAKIURIA, URINARY INCONTINENCE, OBESITY OR DIABETES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-30 US disclosed
US-20040037022-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-02-26 US disclosed
WO-2002024635-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-28 WO disclosed