SCHEMBL6538702

SCHEMBL6538702

O=C(O)c1ccc(C(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)cc1.[NaH]

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.74
ADRB1 P08588 14/20 0.74
ADRB2 P07550 1/20 0.52
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RXFP1 Q9HBX9 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.47

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 0.94 ADRB3 (0.80) ADRB3ADRB1ADRB2NPC1RAB9A
SCHEMBL7531125 0.93 ADRB3 (0.86) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL6539456 0.91 ADRB3 (0.73) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL6538957 0.91 ADRB3 (0.73) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL6538706 0.91 ADRB3 (0.73) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL7039822 0.91 ADRB3 (0.74) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL6538700 0.90 ADRB3 (0.72) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL6539083 0.90 ADRB3 (0.84) ADRB3ADRB1ADRB2NPC1RAB9A
SCHEMBL6539053 0.89 ADRB3 (0.69) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL6539609 0.89 ADRB3 (0.72) 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