SCHEMBL6539448

SCHEMBL6539448

CS(=O)(=O)Nc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@@H](COc3ccccc3)OC(=O)C(F)(F)F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.58
ADRB1 P08588 15/20 0.58
ADRB2 P07550 3/20 0.40
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 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
SCHEMBL7532289 0.95 ADRB3 (0.58) ADRB3ADRB1ADRB2
SCHEMBL6538790 0.90 ADRB3 (0.56) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL6539734 0.90 ADRB3 (0.62) ADRB3ADRB1MEN1NPC1POLB
Trifluoroacetic Acid SCHEMBL6539442 0.88 ADRB3 (0.72) ADRB3ADRB1ADRB2
SCHEMBL6539082 0.86 ADRB3 (0.62) ADRB3ADRB1MEN1NPC1POLB
SCHEMBL6539550 0.86 ADRB3 (0.61) ADRB3ADRB1MEN1NPC1POLB
SCHEMBL6539718 0.86 ADRB3 (0.61) ADRB3ADRB1NPC1RAB9A
SCHEMBL6539241 0.85 ADRB3 (0.60) ADRB3ADRB1MEN1NPC1POLB
SCHEMBL6539775 0.84 ADRB3 (0.59) ADRB3ADRB1MEN1NPC1POLB
SCHEMBL6541344 0.83 ADRB3 (0.58) ADRB3ADRB1MEN1NPC1RAB9A

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