SCHEMBL17801010

SCHEMBL17801010

CC(C)(C)OC(=O)N1CCCC1c1nc(-c2ccc3[nH]nc(-c4cccc(C=O)c4)c3c2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.44
HCRTR1 O43613 2/20 0.44
CPT1A P50416 17/20 0.44
CPT2 P23786 12/20 0.44
CPT1B Q92523 2/20 0.44

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
SCHEMBL17801054 0.89 CPT1A (0.55) HCRTR2HCRTR1CPT1ACPT2CPT1B
SCHEMBL17801081 0.89 CPT1A (0.46) HCRTR2HCRTR1CPT1ACPT2CPT1B
SCHEMBL17801046 0.88 CPT1A (0.45) HCRTR2HCRTR1CPT1ACPT2CPT1B
SCHEMBL17801041 0.84 CPT1A (0.48) HCRTR2HCRTR1CPT1ACPT2CPT1B
SCHEMBL17801091 0.77 CPT1A (0.60) HCRTR2HCRTR1CPT1ACPT2CPT1B
SCHEMBL235991 0.76 HCRTR2 (0.47) HCRTR2HCRTR1CPT1ACPT2CPT1B
SCHEMBL235992 0.76 HCRTR2 (0.47) HCRTR2HCRTR1CPT1ACPT2CPT1B
SCHEMBL10150922 0.75 HCRTR2 (0.44) HCRTR2HCRTR1CPT1ACPT2
SCHEMBL17801093 0.75 CPT1A (0.63) HCRTR2HCRTR1CPT1ACPT2CPT1B
SCHEMBL17801036 0.74 USP30 (0.51)

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