SCHEMBL6539092

SCHEMBL6539092

CCCNC(=O)c1ccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@@H](COc3ccccc3)OC(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.62
ADRB1 P08588 14/20 0.62
MCHR1 Q99705 2/20 0.40
MAPT P10636 1/20 0.39
ADRB2 P07550 1/20 0.38
EPHX2 P34913 1/20 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
SCHEMBL6539775 0.93 ADRB3 (0.59) ADRB3ADRB1EPHX2
SCHEMBL6541344 0.91 ADRB3 (0.58) ADRB3ADRB1
Trifluoroacetic Acid SCHEMBL6539091 0.88 ADRB3 (0.78) ADRB3ADRB1ADRB2
SCHEMBL6539488 0.88 ADRB3 (0.57) ADRB3ADRB1MAPT
SCHEMBL6539964 0.87 ADRB3 (0.57) ADRB3ADRB1MCHR1
SCHEMBL6539718 0.86 ADRB3 (0.61) ADRB3ADRB1
SCHEMBL6539506 0.85 ADRB3 (0.59) ADRB3ADRB1
SCHEMBL7532289 0.84 ADRB3 (0.58) ADRB3ADRB1ADRB2
SCHEMBL6539082 0.84 ADRB3 (0.62) ADRB3ADRB1MAPT
SCHEMBL6539720 0.83 ADRB3 (0.60) ADRB3ADRB1MAPT

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