SCHEMBL17801049

SCHEMBL17801049

N#Cc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(C5CCCN5C(=O)O)n4)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 17/20 0.52
CPT2 P23786 12/20 0.52
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
CPT1B Q92523 3/20 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
SCHEMBL17801041 0.88 CPT1A (0.48) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL17801024 0.84 FASN (0.46) CPT1ACPT2
SCHEMBL17801091 0.82 CPT1A (0.60) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL17801081 0.82 CPT1A (0.46) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL17801093 0.79 CPT1A (0.63) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL17801057 0.79 CPT1A (0.51) CPT1ACPT2HCRTR1HCRTR2CPT1B
SCHEMBL17801034 0.77 LRRK2 (0.43)
SCHEMBL17801043 0.77 GPR119 (0.48)
SCHEMBL17801056 0.77 TLR9 (0.50)
SCHEMBL17801018 0.74 CSNK1D (0.50)

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-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed