SCHEMBL764150

SCHEMBL764150

CC(C)C(O)COc1ccccc1CCCN

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.52
ADRB1 P08588 12/20 0.52
TAAR1 Q96RJ0 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
SCHEMBL764884 0.88 ADRB2 (0.55) ADRB2ADRB1TAAR1
SCHEMBL13392152 0.87 ADRB2 (0.53) ADRB2ADRB1
SCHEMBL29818847 0.79 ADRB2 (0.45) ADRB2ADRB1TAAR1
SCHEMBL764163 0.78 ADRB2 (0.51) ADRB2ADRB1
SCHEMBL765334 0.78 ADRB2 (0.51) ADRB2ADRB1
SCHEMBL2361312 0.77 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL2331246 0.77 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL2328945 0.77 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL9038190 0.76 L3MBTL1 (0.53) TAAR1
SCHEMBL14047090 0.76 TAAR1 (0.45) ADRB2ADRB1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054429-B1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS TRANZYME PHARMA INC (CA) 2013-11-06 EP disclosed
EP-2431380-A2 Macrocyclic antagonist of the motilin receptor for treatment of gastrointestinal dysmotility disorders Tranzyme Pharma, Inc. (US) 2012-03-21 EP disclosed
WO-2008033328-A2 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS TRANZYME PHARMA, INC. (US) 2008-03-20 WO disclosed