SCHEMBL6542153

SCHEMBL6542153

O=C(Nc1ccc(C[C@@H](CO)N(Cc2ccccc2)C[C@H](O)COc2ccccc2)cc1)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NR1H4 Q96RI1 1/20 0.47
ADRB1 P08588 12/20 0.44
ADRB3 P13945 12/20 0.44
BACE1 P56817 1/20 0.43
DEGS1 O15121 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL6542157 1.00 MEN1 (0.48) MEN1KMT2ANR1H4ADRB1ADRB3
SCHEMBL7533753 0.87 SLC16A3 (0.43) MEN1KMT2ABACE1POLB
SCHEMBL6538563 0.87 ADRB1 (0.54) MEN1KMT2AADRB1ADRB3NPC1
SCHEMBL6538597 0.85 NR1H4 (0.48) MEN1KMT2ANR1H4ADRB1ADRB3
SCHEMBL6538732 0.85 ADRB1 (0.50) MEN1KMT2AADRB1ADRB3NPC1
SCHEMBL6538833 0.85 ADRB3 (0.61) MEN1KMT2AADRB1ADRB3NPC1
SCHEMBL6540060 0.83 ADRB1 (0.48) MEN1KMT2AADRB1ADRB3NPC1
SCHEMBL6538663 0.83 ADRB1 (0.48) MEN1KMT2AADRB1ADRB3NPC1
SCHEMBL6539512 0.82 ADRB1 (0.52) MEN1KMT2AADRB1ADRB3NPC1
SCHEMBL6539030 0.82 KDM4E (0.47) MEN1KMT2AADRB1ADRB3

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