SCHEMBL6539082

SCHEMBL6539082

CNC(=O)c1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@@H](COc3ccccc3)OC(=O)C(F)(F)F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.62
ADRB1 P08588 11/20 0.62
NPC1 O15118 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
MITF O75030 1/20 0.41
PAX8 Q06710 1/20 0.41
RAF1 P04049 1/20 0.40
MAPT P10636 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
SCHEMBL6541344 0.93 ADRB3 (0.58) ADRB3ADRB1NPC1MEN1KMT2A
SCHEMBL6539775 0.91 ADRB3 (0.59) ADRB3ADRB1NPC1MEN1KMT2A
SCHEMBL6539550 0.90 ADRB3 (0.61) ADRB3ADRB1NPC1MEN1KMT2A
SCHEMBL6539241 0.90 ADRB3 (0.60) ADRB3ADRB1NPC1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6539079 0.88 ADRB3 (0.77) ADRB3ADRB1NPC1MEN1KMT2A
SCHEMBL6539734 0.88 ADRB3 (0.62) ADRB3ADRB1NPC1MEN1KMT2A
SCHEMBL6539448 0.86 ADRB3 (0.58) ADRB3ADRB1NPC1MEN1KMT2A
SCHEMBL6539718 0.86 ADRB3 (0.61) ADRB3ADRB1NPC1RAB9ASMN1; SMN2
SCHEMBL6539488 0.84 ADRB3 (0.57) ADRB3ADRB1NPC1MEN1KMT2A
SCHEMBL6539964 0.84 ADRB3 (0.57) ADRB3ADRB1

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