SCHEMBL10539121

SCHEMBL10539121

CC(C)C(=O)Nc1ncc(C(O)CNC(C)(C)Cc2ccccc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.51
ADRB3 P13945 11/20 0.49
ADRB1 P08588 3/20 0.46
CASR P41180 1/20 0.42

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
SCHEMBL9769330 0.82 ADRB2 (0.44) ADRB2ADRB1
SCHEMBL10539606 0.80 ADRB2 (0.55) ADRB2ADRB3ADRB1CASR
Hydrochloric Acid SCHEMBL10540907 0.79 ADRB2 (0.55) ADRB2ADRB3ADRB1CASR
SCHEMBL10539169 0.76 ADRB2 (0.60) ADRB2ADRB3ADRB1CASR
Hydrochloric Acid SCHEMBL10539540 0.74 ADRB2 (0.55) ADRB2ADRB3ADRB1CASR
SCHEMBL20832742 0.72 SMN1; SMN2 (0.40) ADRB2ADRB3ADRB1
SCHEMBL20819399 0.72 SMN1; SMN2 (0.40) ADRB2ADRB3ADRB1
SCHEMBL6479693 0.72 ADRB2 (0.67) ADRB2ADRB3ADRB1
SCHEMBL9769158 0.71 CCNE1 (0.39)
Hydrochloric Acid SCHEMBL20819389 0.71 SMN1; SMN2 (0.39) ADRB2ADRB3ADRB1

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-4816457-A HYPOTENSIVE AGENTS, BRONCHODILATORS, EYES MERCK & CO., INC., A CORP. OF NJ 1989-03-28 US disclosed