SCHEMBL6539311

SCHEMBL6539311

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 16/20 0.45
ADRB3 P13945 16/20 0.45
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MAPT P10636 1/20 0.39
ADRB2 P07550 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6540426 0.90 BACE1 (0.42) ADRB1ADRB3HCRTR1HCRTR2MAPT
SCHEMBL6538630 0.83 ADRB1 (0.43) ADRB1ADRB3MAPT
SCHEMBL6538847 0.82 ADRB1 (0.48) ADRB1ADRB3MAPTADRB2MEN1
SCHEMBL6539620 0.81 ADRB1 (0.46) ADRB1ADRB3MAPTADRB2MEN1
Hydrochloric Acid SCHEMBL6538670 0.81 ADRB3 (0.68) ADRB1ADRB3MAPTADRB2
SCHEMBL6539710 0.81 ADRB1 (0.53) ADRB1ADRB3MAPTADRB2MEN1
SCHEMBL6538911 0.80 ADRB3 (0.56) ADRB1ADRB3MAPTADRB2MEN1
SCHEMBL6539156 0.79 ADRB1 (0.53) ADRB1ADRB3MAPTADRB2
SCHEMBL6539601 0.79 RAB9A (0.54) ADRB1ADRB3MAPT
SCHEMBL6539510 0.79 ADRB1 (0.59) ADRB1ADRB3MAPTADRB2

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