SCHEMBL6539288

SCHEMBL6539288

CC(C)(C)OC(=O)N(C[C@H](O)COc1ccccc1)[C@H](CO)Cc1ccc(NC(=O)c2cc[nH]c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 16/20 0.44
ADRB3 P13945 16/20 0.44
BACE1 P56817 1/20 0.42
ADRB2 P07550 3/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL6538847 0.89 ADRB1 (0.48) ADRB1ADRB3ADRB2MAPTMEN1
SCHEMBL6539522 0.86 ADRB1 (0.52) ADRB1ADRB3BACE1ADRB2MAPT
SCHEMBL6540426 0.85 BACE1 (0.42) ADRB1ADRB3BACE1ADRB2MAPT
SCHEMBL6539352 0.82 ADRB1 (0.62) ADRB1ADRB3BACE1ADRB2MEN1
SCHEMBL6540414 0.82 ADRB1 (0.53) ADRB1ADRB3BACE1ADRB2MEN1
SCHEMBL6538543 0.81 BACE1 (0.43) ADRB1ADRB3BACE1
SCHEMBL6540224 0.81 BACE1 (0.43) ADRB1ADRB3BACE1
SCHEMBL6539067 0.81 ADRB1 (0.49) ADRB1ADRB3BACE1ADRB2
SCHEMBL6538478 0.78 KMT2A (0.47) ADRB1ADRB3BACE1ADRB2MEN1
SCHEMBL6539215 0.76 ADRB3 (0.72) 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