SCHEMBL6539710

SCHEMBL6539710

CNC(=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 9)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 15/20 0.53
ADRB3 P13945 15/20 0.53
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ADRB2 P07550 2/20 0.41
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL6539510 0.91 ADRB1 (0.59) ADRB1ADRB3ADRB2MAPT
SCHEMBL6539156 0.89 ADRB1 (0.53) ADRB1ADRB3ADRB2MAPT
SCHEMBL6538911 0.87 ADRB3 (0.56) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6540060 0.85 ADRB1 (0.48) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6539299 0.84 ADRB3 (0.57) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6538657 0.83 ADRB1 (0.55) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6540414 0.83 ADRB1 (0.53) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6538564 0.83 ADRB3 (0.55) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6539522 0.82 ADRB1 (0.52) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL6538847 0.82 ADRB1 (0.48) ADRB1ADRB3MEN1KMT2AADRB2

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