SCHEMBL4046232

SCHEMBL4046232

O=C(O)c1ccc(C2CCCCN2C(=O)C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.51
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
PDE5A O76074 1/20 0.41
CFB P00751 5/20 0.41
HSD11B1 P28845 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4046089 0.88 RIPK1 (0.50) RIPK1CCNCCDK8GAAHPGD
SCHEMBL28171621 0.87 RIPK1 (0.67) RIPK1HSD11B1PARP14PARP10
SCHEMBL4051349 0.84 RIPK1 (0.44) RIPK1CCNCCDK8HSD11B1PARP14
SCHEMBL27564986 0.83 RIPK1 (0.62) RIPK1HSD11B1
SCHEMBL1576663 0.82 RIPK1 (0.73) RIPK1HSD11B1
SCHEMBL30878611 0.81 RIPK1 (0.55) RIPK1
SCHEMBL4046460 0.80 MLYCD (0.44) RIPK1CCNCCDK8CFBPARP14
SCHEMBL4967031 0.78 RIPK1 (0.49) RIPK1PDE5APARP14PARP10
SCHEMBL13180874 0.76 RIPK1 (0.49) RIPK1
SCHEMBL21962365 0.76 RIPK1 (0.49) RIPK1

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
WO-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed