SCHEMBL6538833

SCHEMBL6538833

O=C(Nc1ccccc1)Nc1ccc(C[C@@H](CO)N(Cc2ccccc2)C[C@H](O)COc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.61
ADRB1 P08588 15/20 0.61
POLB P06746 2/20 0.44
ADRB2 P07550 1/20 0.44
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6539617 0.92 ADRB1 (0.57) ADRB3ADRB1POLBADRB2MAPT
SCHEMBL6538563 0.90 ADRB1 (0.54) ADRB3ADRB1ADRB2MEN1NPC1
SCHEMBL7686428 0.90 ADRB1 (0.49) ADRB3ADRB1POLBMAPTMEN1
SCHEMBL6538732 0.89 ADRB1 (0.50) ADRB3ADRB1ADRB2MEN1NPC1
SCHEMBL6540060 0.86 ADRB1 (0.48) ADRB3ADRB1POLBADRB2MEN1
SCHEMBL6538663 0.86 ADRB1 (0.48) ADRB3ADRB1POLBADRB2MEN1
SCHEMBL6538889 0.85 ADRB1 (0.49) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL6539058 0.85 ADRB1 (0.45) ADRB3ADRB1POLBADRB2MAPT
SCHEMBL6539381 0.85 ADRB1 (0.54) ADRB3ADRB1ADRB2MAPTMEN1
SCHEMBL6538597 0.85 NR1H4 (0.48) ADRB3ADRB1ADRB2MEN1NPC1

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