SCHEMBL6538847

SCHEMBL6538847

O=C(Nc1ccc(C[C@@H](CO)N(C[C@H](O)COc2ccccc2)C(=O)O)cc1)c1cc[nH]c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 16/20 0.48
ADRB3 P13945 16/20 0.48
ADRB2 P07550 2/20 0.42
MAPT P10636 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL6539288 0.89 ADRB1 (0.44) ADRB1ADRB3ADRB2MAPTMEN1
SCHEMBL6539620 0.86 ADRB1 (0.46) ADRB1ADRB3ADRB2MAPTMEN1
SCHEMBL6538698 0.84 NPC1 (0.43) ADRB1ADRB3ADRB2MAPTNPC1
SCHEMBL6539311 0.82 ADRB1 (0.45) ADRB1ADRB3ADRB2MAPTMEN1
SCHEMBL6539710 0.82 ADRB1 (0.53) ADRB1ADRB3ADRB2MAPTMEN1
SCHEMBL6538911 0.81 ADRB3 (0.56) ADRB1ADRB3ADRB2MAPTMEN1
SCHEMBL6539444 0.81 KMT2A (0.52) ADRB1ADRB3KMT2A
SCHEMBL6539215 0.81 ADRB3 (0.72) ADRB1ADRB3ADRB2MAPT
SCHEMBL6539156 0.80 ADRB1 (0.53) ADRB1ADRB3ADRB2MAPT
SCHEMBL6539510 0.80 ADRB1 (0.59) ADRB1ADRB3ADRB2MAPT

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 2 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