SCHEMBL6539446

SCHEMBL6539446

O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)c1cccc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.71
ADRB1 P08588 14/20 0.71
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NR1H4 Q96RI1 1/20 0.51
DEGS1 O15121 1/20 0.45

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
Hydrochloric Acid SCHEMBL6538979 0.87 ADRB3 (0.65) ADRB3ADRB1
SCHEMBL6538446 0.85 ADRB3 (0.80) ADRB3ADRB1
SCHEMBL6539609 0.84 ADRB3 (0.72) ADRB3ADRB1NR1H4DEGS1
SCHEMBL6538626 0.83 ADRB3 (1.00) ADRB3ADRB1
Hydrochloric Acid SCHEMBL7558333 0.83 ADRB3 (0.64) ADRB3ADRB1
SCHEMBL6538711 0.82 ADRB3 (0.82) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6538594 0.82 ADRB3 (0.98) ADRB3ADRB1
SCHEMBL6538997 0.82 ADRB3 (0.82) ADRB3ADRB1MEN1KMT2A
Hydrochloric Acid SCHEMBL6538601 0.82 ADRB1 (0.66) ADRB3ADRB1KMT2A
SCHEMBL6538702 0.82 ADRB3 (0.74) ADRB3ADRB1MEN1KMT2A

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 6 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 claimed
US-20040037022-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-02-26 US claimed
WO-2002024635-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-28 WO claimed
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