SCHEMBL11718737

SCHEMBL11718737

CCOC(=O)CC(C)NCC(O)COc1ccc(C=CNC(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.43
▸ ADRB1 P08588 3/20 0.43
▸ ADRB3 P13945 3/20 0.42
▸ OPRK1 P41145 1/20 0.41

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
SCHEMBL11718729 1.00 ADRB2 (0.43) ADRB2ADRB1ADRB3OPRK1
SCHEMBL11712653 0.88 ADRB2 (0.49) ADRB2ADRB1ADRB3OPRK1
SCHEMBL11712662 0.88 ADRB2 (0.49) ADRB2ADRB1ADRB3OPRK1
SCHEMBL11202940 0.85 PTGS1 (0.56) ADRB2ADRB1ADRB3OPRK1
SCHEMBL11202936 0.85 PTGS1 (0.56) ADRB2ADRB1ADRB3OPRK1
SCHEMBL11721629 0.84 ADRB2 (0.43) ADRB2ADRB1ADRB3OPRK1
SCHEMBL11721637 0.84 ADRB2 (0.43) ADRB2ADRB1ADRB3OPRK1
SCHEMBL10936166 0.82 ADRB3 (0.62) ADRB2ADRB1ADRB3
Fumaric Acid SCHEMBL11723033 0.81 MEN1 (0.58) ADRB2ADRB1ADRB3OPRK1
Fumaric Acid SCHEMBL11723018 0.81 MEN1 (0.58) ADRB2ADRB1ADRB3OPRK1

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-4038414-A ANTIARRHYTHMIA AGENTS CIBA-GEIGY CORPORATION (US) 1977-07-26 — — US disclosed
US-4014920-A N-cinnamylcarbamic acid esters CIBA-GEIGY CORPORATION (US) 1977-03-29 — — US disclosed
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