SCHEMBL2719977

SCHEMBL2719977

O=C(O)N1CCC(Oc2cc(N3CCc4cc(Br)ccc43)ncn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.59
ROCK1 Q13464 1/20 0.43

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
SCHEMBL1065558 0.87 GPR119 (0.60) GPR119
SCHEMBL12933436 0.87 GPR119 (0.77) GPR119
SCHEMBL299959 0.85 GPR119 (0.80) GPR119
SCHEMBL17091616 0.85 GPR119 (0.60) GPR119
SCHEMBL288936 0.84 GPR119 (0.57) GPR119
SCHEMBL17091636 0.83 GPR119 (0.67) GPR119
SCHEMBL17091630 0.83 GPR119 (0.64) GPR119
SCHEMBL300112 0.82 GPR119 (0.67) GPR119
SCHEMBL17091625 0.81 GPR119 (0.62) GPR119
SCHEMBL17091622 0.81 GPR119 (0.64) GPR119

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-2445901-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO Boehringer Ingelheim International GmbH (DE) 2012-05-02 EP disclosed
WO-2010149685-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-29 WO disclosed