SCHEMBL6540060

SCHEMBL6540060

CNC(=O)c1ccc(C(=O)Nc2ccc(C[C@@H](CO)N(Cc3ccccc3)C[C@H](O)COc3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 11/20 0.48
ADRB3 P13945 11/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ADRB2 P07550 2/20 0.44
RXFP1 Q9HBX9 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 2/20 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
SCHEMBL6538732 0.94 ADRB1 (0.50) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6538563 0.94 ADRB1 (0.54) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6539381 0.92 ADRB1 (0.54) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6538889 0.92 ADRB1 (0.49) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6538485 0.91 ADRB1 (0.47) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6538663 0.91 ADRB1 (0.48) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6539792 0.91 ADRB1 (0.53) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6538597 0.89 NR1H4 (0.48) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6539512 0.87 ADRB1 (0.52) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6538833 0.86 ADRB3 (0.61) ADRB1ADRB3MEN1KMT2AADRB2

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