SCHEMBL6539595

SCHEMBL6539595

CCOC(=O)c1ccc(NC(=O)Nc2ccc(C[C@@H](CO[Si](C)(C)C)N(C[C@H](O)COc3ccccc3)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ADRB1 P08588 11/20 0.47
ADRB3 P13945 11/20 0.47
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NAMPT P43490 1/20 0.40
PPIA P62937 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
ADRB2 P07550 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
SCHEMBL6538469 0.94 MEN1 (0.47) MAPTADRB1ADRB3NPC1RAB9A
SCHEMBL6539353 0.92 ADRB1 (0.42) MAPTADRB1ADRB3KDM4ETDP1
SCHEMBL6539522 0.83 ADRB1 (0.52) MAPTADRB1ADRB3NPC1RAB9A
SCHEMBL6539352 0.77 ADRB1 (0.62) ADRB1ADRB3NPC1RAB9ASMN1; SMN2
SCHEMBL6539067 0.76 ADRB1 (0.49) ADRB1ADRB3ADRB2
SCHEMBL6540414 0.76 ADRB1 (0.53) ADRB1ADRB3NPC1RAB9ASMN1; SMN2
SCHEMBL6539338 0.75 ADRB1 (0.39) ADRB1ADRB3KDM4ENPC1RAB9A
SCHEMBL6539288 0.73 ADRB1 (0.44) MAPTADRB1ADRB3ADRB2
SCHEMBL6539324 0.73 ADRB3 (0.80) MAPTADRB1ADRB3NPC1RAB9A
SCHEMBL6539708 0.72 ADRB3 (0.36) ADRB3

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