SCHEMBL6539156

SCHEMBL6539156

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 14/20 0.53
ADRB3 P13945 14/20 0.53
ADRB2 P07550 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 2/20 0.40
MCHR1 Q99705 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
SCHEMBL6539299 0.92 ADRB3 (0.57) ADRB1ADRB3ADRB2MAPT
SCHEMBL6539710 0.89 ADRB1 (0.53) ADRB1ADRB3ADRB2MAPT
SCHEMBL6538911 0.87 ADRB3 (0.56) ADRB1ADRB3ADRB2MAPT
SCHEMBL6539510 0.87 ADRB1 (0.59) ADRB1ADRB3ADRB2MAPTMCHR1
SCHEMBL6538485 0.83 ADRB1 (0.47) ADRB1ADRB3ADRB2LTA4H
SCHEMBL6538564 0.83 ADRB3 (0.55) ADRB1ADRB3ADRB2
SCHEMBL6539522 0.82 ADRB1 (0.52) ADRB1ADRB3ADRB2LTA4HMAPT
SCHEMBL6538657 0.82 ADRB1 (0.55) ADRB1ADRB3ADRB2
SCHEMBL6538847 0.80 ADRB1 (0.48) ADRB1ADRB3ADRB2MAPT
SCHEMBL6538833 0.79 ADRB3 (0.61) 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