SCHEMBL6539731

SCHEMBL6539731

COc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 1.00
ADRB1 P08588 13/20 1.00
ADRB2 P07550 1/20 0.56
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50

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
Trifluoroacetic Acid SCHEMBL6539367 0.96 ADRB3 (0.92) ADRB3ADRB1ADRB2MEN1NPC1
SCHEMBL6538626 0.91 ADRB3 (1.00) ADRB3ADRB1ADRB2MAPT
Hydrochloric Acid SCHEMBL6538594 0.90 ADRB3 (0.98) ADRB3ADRB1ADRB2MAPT
SCHEMBL6538752 0.89 ADRB3 (0.83) ADRB3ADRB1ADRB2MEN1NPC1
SCHEMBL6538612 0.88 ADRB3 (0.79) ADRB3ADRB1ADRB2MEN1NPC1
SCHEMBL6539825 0.88 ADRB3 (0.98) ADRB3ADRB1ADRB2MEN1NPC1
SCHEMBL7531078 0.87 ADRB3 (0.80) ADRB3ADRB1ADRB2MEN1NPC1
Trifluoroacetic Acid SCHEMBL6538659 0.87 ADRB3 (0.77) ADRB3ADRB1ADRB2MAPT
SCHEMBL6538604 0.87 ADRB3 (0.86) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL6539152 0.86 ADRB3 (0.85) ADRB3ADRB1ADRB2MEN1NPC1

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 claimed
US-20040037022-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-02-26 US claimed