SCHEMBL6539834

SCHEMBL6539834

O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)c2cccc(Cl)c2)cc1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.81
ADRB1 P08588 11/20 0.54
ADRB2 P07550 6/20 0.53
BACE1 P56817 1/20 0.51
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SLC2A1 P11166 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SMO Q99835 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL6539840 1.00 ADRB3 (0.81) ADRB3ADRB1ADRB2BACE1ADRA1D
SCHEMBL6539557 0.93 ADRB3 (0.74) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL6539553 0.90 ADRB3 (0.69) ADRB3ADRB1ADRB2BACE1ADRA1D
SCHEMBL6539307 0.90 ADRB3 (1.00) ADRB3ADRB1ADRB2BACE1ADRA1D
SCHEMBL6539301 0.90 ADRB3 (1.00) ADRB3ADRB1ADRB2BACE1ADRA1D
Hydrochloric Acid SCHEMBL6538857 0.89 ADRB3 (0.68) ADRB3ADRB1ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL6538854 0.89 ADRB3 (0.68) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL6539059 0.82 ADRB3 (0.61) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL6539055 0.82 ADRB3 (0.61) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL6539355 0.81 ADRB3 (0.70) ADRB3ADRB1ADRB2KDM4E

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