SCHEMBL6538889

SCHEMBL6538889

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 12/20 0.49
ADRB3 P13945 12/20 0.49
ADRB2 P07550 3/20 0.49
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
PTPN1 P18031 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
SCHEMBL6539381 0.93 ADRB1 (0.54) ADRB1ADRB3ADRB2ALDH1A1LMNA
SCHEMBL6538732 0.93 ADRB1 (0.50) ADRB1ADRB3ADRB2LMNAMEN1
SCHEMBL6538563 0.93 ADRB1 (0.54) ADRB1ADRB3ADRB2LMNAMEN1
SCHEMBL7037437 0.93 ALDH1A1 (0.52) ADRB1ADRB3ADRB2ALDH1A1LMNA
SCHEMBL6540060 0.92 ADRB1 (0.48) ADRB1ADRB3ADRB2LMNAMEN1
SCHEMBL6538485 0.91 ADRB1 (0.47) ADRB1ADRB3ADRB2LMNAMEN1
SCHEMBL6538663 0.90 ADRB1 (0.48) ADRB1ADRB3ADRB2ALDH1A1LMNA
SCHEMBL6539792 0.90 ADRB1 (0.53) ADRB1ADRB3ADRB2ALDH1A1MEN1
SCHEMBL6539512 0.88 ADRB1 (0.52) ADRB1ADRB3ADRB2ALDH1A1LMNA
SCHEMBL6538597 0.88 NR1H4 (0.48) ADRB1ADRB3ADRB2MEN1KMT2A

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