SCHEMBL6538563

SCHEMBL6538563

O=C(Nc1ccc(C[C@@H](CO)N(Cc2ccccc2)C[C@H](O)COc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 12/20 0.54
ADRB3 P13945 12/20 0.54
ADRB2 P07550 4/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
RXFP1 Q9HBX9 2/20 0.45
LMNA P02545 1/20 0.43

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
SCHEMBL6538732 0.96 ADRB1 (0.50) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL6538663 0.94 ADRB1 (0.48) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL6540060 0.94 ADRB1 (0.48) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL6538889 0.93 ADRB1 (0.49) ADRB1ADRB3ADRB2KMT2AMEN1
SCHEMBL6539381 0.93 ADRB1 (0.54) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL6538485 0.92 ADRB1 (0.47) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL6539155 0.91 RAB9A (0.54) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL6539792 0.91 ADRB1 (0.53) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL6539512 0.91 ADRB1 (0.52) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL6539030 0.91 KDM4E (0.47) ADRB1ADRB3ADRB2KMT2AMEN1

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