SCHEMBL6539720

SCHEMBL6539720

COC(=O)Nc1ccccc1NC(=O)Nc1ccc(C[C@@H](CO)NC[C@@H](COc2ccccc2)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.60
ADRB1 P08588 12/20 0.60
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL6539718 0.95 ADRB3 (0.61) ADRB3ADRB1NPC1RAB9ASMN1; SMN2
SCHEMBL6539734 0.91 ADRB3 (0.62) ADRB3ADRB1MEN1KMT2AMAPT
SCHEMBL6538790 0.90 ADRB3 (0.56) ADRB3ADRB1MEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL6539730 0.88 ADRB3 (0.75) ADRB3ADRB1MAPT
SCHEMBL6538734 0.87 ADRB3 (0.54) ADRB3ADRB1MEN1KMT2AKDM4E
SCHEMBL7532289 0.86 ADRB3 (0.58) ADRB3ADRB1
SCHEMBL6541344 0.86 ADRB3 (0.58) ADRB3ADRB1MEN1KMT2ANPC1
SCHEMBL6539506 0.86 ADRB3 (0.59) ADRB3ADRB1NPC1RAB9A
SCHEMBL6539488 0.85 ADRB3 (0.57) ADRB3ADRB1MEN1KMT2AMAPT
SCHEMBL6539964 0.85 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 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