SCHEMBL7989952

SCHEMBL7989952

Nc1ccc(CC(=O)Nc2ccc(CCNCC(O)c3cccnc3)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.85
ADRB1 P08588 10/20 0.85
ADRB2 P07550 9/20 0.73

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
SCHEMBL7989947 1.00 ADRB3 (0.85) ADRB3ADRB1ADRB2
SCHEMBL7124327 0.87 ADRB1 (0.66) ADRB3ADRB1ADRB2
SCHEMBL7121360 0.87 ADRB1 (0.66) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL6620959 0.85 ADRB3 (0.86) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL6620967 0.85 ADRB3 (0.86) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL6620427 0.83 ADRB3 (0.77) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL6621130 0.81 ADRB3 (0.77) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL6621128 0.81 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL8559634 0.81 ADRB3 (0.54) ADRB3ADRB1ADRB2
SCHEMBL6618875 0.78 ADRB3 (0.72) 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