SCHEMBL7989644

SCHEMBL7989644

N#Cc1cccc([C@@H](O)CNCCc2ccc(NC(=O)Cc3ccccn3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.59
ADRB1 P08588 14/20 0.59
ADRB2 P07550 5/20 0.51

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
SCHEMBL7989646 1.00 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL6621598 0.87 ADRB3 (0.68) ADRB3ADRB1ADRB2
SCHEMBL6621605 0.87 ADRB3 (0.68) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL6620987 0.86 ADRB3 (0.67) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL6620983 0.86 ADRB3 (0.67) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL6621564 0.86 ADRB3 (0.58) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL6624614 0.86 ADRB3 (0.58) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6624617 0.86 ADRB3 (0.58) ADRB3ADRB1
SCHEMBL7997015 0.83 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL7997011 0.83 ADRB3 (0.77) ADRB3ADRB1ADRB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291491-B1 TREATMENT OF TYPE II DIABETES AND OBESITY; ANTIDEPRESSANTS; DECREASE GUT MOTILITY. MERCK & CO., INC. 2001-09-18 US disclosed