SCHEMBL6540426

SCHEMBL6540426

Cn1cccc1C(=O)Nc1ccc(C[C@@H](CO)N(C[C@H](O)COc2ccccc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
ADRB1 P08588 16/20 0.42
ADRB3 P13945 16/20 0.42
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ADRB2 P07550 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6539311 0.90 ADRB1 (0.45) ADRB1ADRB3HCRTR1HCRTR2ADRB2
SCHEMBL6539288 0.85 ADRB1 (0.44) BACE1ADRB1ADRB3ADRB2MAPT
SCHEMBL6539522 0.84 ADRB1 (0.52) BACE1ADRB1ADRB3ADRB2MAPT
SCHEMBL6538543 0.81 BACE1 (0.43) BACE1ADRB1ADRB3
SCHEMBL6540224 0.81 BACE1 (0.43) BACE1ADRB1ADRB3
SCHEMBL6539067 0.80 ADRB1 (0.49) BACE1ADRB1ADRB3ADRB2
SCHEMBL6539352 0.80 ADRB1 (0.62) BACE1ADRB1ADRB3ADRB2
SCHEMBL6540414 0.79 ADRB1 (0.53) BACE1ADRB1ADRB3ADRB2
SCHEMBL6538478 0.78 KMT2A (0.47) BACE1ADRB1ADRB3ADRB2
Hydrochloric Acid SCHEMBL6538670 0.77 ADRB3 (0.68) ADRB1ADRB3ADRB2MAPT

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
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