SCHEMBL764884

SCHEMBL764884

CC(O)COc1ccccc1CCCN

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.55
ADRB1 P08588 12/20 0.55
LMNA P02545 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL764150 0.88 ADRB2 (0.52) ADRB2ADRB1TAAR1
SCHEMBL74054 0.86 ADRB2 (0.56) ADRB2ADRB1LMNA
SCHEMBL12195812 0.86 ADRB2 (0.56) ADRB2ADRB1LMNA
SCHEMBL12195810 0.86 ADRB2 (0.56) ADRB2ADRB1LMNA
SCHEMBL26921471 0.83 LMNA (0.52) ADRB2ADRB1LMNA
SCHEMBL8588062 0.83 ADRB2 (0.60) ADRB2ADRB1LMNA
SCHEMBL9162198 0.83 ADRB2 (0.60) ADRB2ADRB1LMNA
SCHEMBL9613722 0.82 ADRB2 (0.51) ADRB2ADRB1LMNA
SCHEMBL29818847 0.81 ADRB2 (0.45) ADRB2ADRB1TAAR1
SCHEMBL765334 0.80 ADRB2 (0.51) ADRB2ADRB1LMNA

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
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