SCHEMBL6539609

SCHEMBL6539609

O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.72
ADRB1 P08588 13/20 0.72
NR1H4 Q96RI1 2/20 0.52
ADRB2 P07550 1/20 0.48
DGAT1 O75907 1/20 0.46
PIN1 Q13526 1/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
DEGS1 O15121 1/20 0.46

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
SCHEMBL6538446 0.90 ADRB3 (0.80) ADRB3ADRB1ADRB2NPC1RAB9A
SCHEMBL6538702 0.89 ADRB3 (0.74) ADRB3ADRB1ADRB2NPC1RAB9A
Hydrochloric Acid SCHEMBL6539816 0.88 ADRB3 (0.63) ADRB3ADRB1ADRB2NPC1RAB9A
SCHEMBL6538957 0.88 ADRB3 (0.73) ADRB3ADRB1ADRB2
SCHEMBL6539456 0.88 ADRB3 (0.73) ADRB3ADRB1ADRB2NPC1RAB9A
SCHEMBL6538706 0.88 ADRB3 (0.73) ADRB3ADRB1ADRB2NPC1RAB9A
SCHEMBL6538612 0.87 ADRB3 (0.79) ADRB3ADRB1ADRB2NPC1RAB9A
SCHEMBL6539355 0.87 ADRB3 (0.70) ADRB3ADRB1ADRB2
SCHEMBL6538700 0.87 ADRB3 (0.72) ADRB3ADRB1ADRB2NPC1RAB9A
SCHEMBL6539083 0.87 ADRB3 (0.84) ADRB3ADRB1ADRB2NPC1RAB9A

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