SCHEMBL6539299

SCHEMBL6539299

CN(C)C(=O)c1cccc(NC(=O)Nc2ccc(C[C@@H](CO)N(C[C@H](O)COc3ccccc3)C(=O)O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.57
ADRB1 P08588 14/20 0.57
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 1/20 0.42
PAX8 Q06710 1/20 0.42
ADRB2 P07550 1/20 0.41
IGF1R P08069 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
MAPT P10636 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
SCHEMBL6539156 0.92 ADRB1 (0.53) ADRB3ADRB1ADRB2MAPT
SCHEMBL6538657 0.88 ADRB1 (0.55) ADRB3ADRB1NPC1RAB9AMEN1
SCHEMBL6538564 0.86 ADRB3 (0.55) ADRB3ADRB1NPC1RAB9AMEN1
SCHEMBL6539710 0.84 ADRB1 (0.53) ADRB3ADRB1NPC1RAB9AMEN1
SCHEMBL6538911 0.83 ADRB3 (0.56) ADRB3ADRB1NPC1RAB9AMEN1
SCHEMBL6539352 0.83 ADRB1 (0.62) ADRB3ADRB1NPC1RAB9AMEN1
SCHEMBL6539510 0.82 ADRB1 (0.59) ADRB3ADRB1ADRB2MAPT
SCHEMBL6540414 0.81 ADRB1 (0.53) ADRB3ADRB1NPC1RAB9AMEN1
Trifluoroacetic Acid SCHEMBL6539548 0.80 ADRB3 (0.76) ADRB3ADRB1NPC1RAB9AMEN1
SCHEMBL6538833 0.78 ADRB3 (0.61) ADRB3ADRB1NPC1RAB9AMEN1

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