SCHEMBL6539734

SCHEMBL6539734

COC(=O)Nc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@@H](COc3ccccc3)OC(=O)C(F)(F)F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.62
ADRB1 P08588 12/20 0.62
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6539718 0.96 ADRB3 (0.61) ADRB3ADRB1NPC1RAB9ASMN1; SMN2
SCHEMBL6539720 0.91 ADRB3 (0.60) ADRB3ADRB1NPC1RAB9AMEN1
SCHEMBL6539448 0.90 ADRB3 (0.58) ADRB3ADRB1NPC1RAB9AMEN1
SCHEMBL6539082 0.88 ADRB3 (0.62) ADRB3ADRB1NPC1RAB9AMEN1
SCHEMBL6539550 0.88 ADRB3 (0.61) ADRB3ADRB1NPC1RAB9AMEN1
SCHEMBL6539241 0.87 ADRB3 (0.60) ADRB3ADRB1NPC1RAB9AMEN1
SCHEMBL6539775 0.86 ADRB3 (0.59) ADRB3ADRB1NPC1RAB9AMEN1
SCHEMBL6541344 0.85 ADRB3 (0.58) ADRB3ADRB1NPC1RAB9AMEN1
SCHEMBL7532289 0.85 ADRB3 (0.58) ADRB3ADRB1
SCHEMBL6539506 0.85 ADRB3 (0.59) ADRB3ADRB1NPC1RAB9A

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