SCHEMBL5134846

SCHEMBL5134846

Cc1ccccc1CN(C(=O)c1cccc2c1-c1ccccc1C2)C1Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HTR2B P41595 1/20 0.40
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
HSP90AA1 P07900 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MYC P01106 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPT P10636 1/20 0.33
C5AR1 P21730 1/20 0.33

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
SCHEMBL5138056 0.87 MAPT (0.46) POLBHTR2BTRPM8ALDH1A1MAPT
SCHEMBL5136090 0.84 POLB (0.43) POLBHTR2BHCRTR1HCRTR2ALDH1A1
SCHEMBL5137536 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL5135641 0.83 HCRTR1 (0.39) POLBHTR2BHCRTR1HCRTR2HSP90AA1
SCHEMBL5136116 0.81 ALDH1A1 (0.39) HCRTR1HCRTR2TRPM8ALDH1A1MEN1
SCHEMBL5137964 0.78 SLC6A2 (0.47) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL5136851 0.78 ALDH1A1 (0.42) HSP90AA1TRPM8ALDH1A1MEN1KMT2A
SCHEMBL5135728 0.77 C5AR1 (0.36) HSP90AA1TRPM8PARP1ALDH1A1MEN1
SCHEMBL5137304 0.77 SMN1; SMN2 (0.41) POLBTRPM8ALDH1A1MEN1KMT2A
SCHEMBL5135164 0.77 MAPT (0.41) HSP90AA1TRPM8PARP1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed