SCHEMBL6538752

SCHEMBL6538752

O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc(F)c1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.83
ADRB1 P08588 15/20 0.83
ADRB2 P07550 3/20 0.47
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL6538900 0.96 ADRB3 (0.78) ADRB3ADRB1ADRB2MEN1NPC1
SCHEMBL6538626 0.91 ADRB3 (1.00) ADRB3ADRB1ADRB2MAPT
SCHEMBL6538604 0.91 ADRB3 (0.86) ADRB3ADRB1ADRB2MEN1KMT2A
Hydrochloric Acid SCHEMBL6538594 0.90 ADRB3 (0.98) ADRB3ADRB1ADRB2MAPT
SCHEMBL6539731 0.89 ADRB3 (1.00) ADRB3ADRB1ADRB2MEN1NPC1
SCHEMBL6539825 0.88 ADRB3 (0.98) ADRB3ADRB1ADRB2MEN1NPC1
Trifluoroacetic Acid SCHEMBL6539537 0.88 ADRB3 (0.81) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL7531078 0.87 ADRB3 (0.80) ADRB3ADRB1ADRB2MEN1NPC1
Trifluoroacetic Acid SCHEMBL6538659 0.87 ADRB3 (0.77) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6539346 0.87 ADRB3 (0.76) ADRB3ADRB1ADRB2MEN1NPC1

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 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