SCHEMBL5136649

SCHEMBL5136649

CCCCN(Cc1cc(OC)ccc1OC)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 2/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
C5AR1 P21730 1/20 0.38
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
CRHR1 P34998 2/20 0.38
TEK Q02763 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL5135241 0.96 C5AR1 (0.42) LMNAALDH1A1MEN1CASP1HTT
SCHEMBL5135916 0.95 TP53 (0.43) LMNAALDH1A1MEN1CASP1HTT
SCHEMBL5135642 0.93 C5AR1 (0.42) LMNAALDH1A1MEN1CASP1HTT
SCHEMBL5137427 0.92 GNRHR (0.41) LMNAALDH1A1KDM4EGAATSHR
SCHEMBL5134803 0.91 BCHE (0.43) C5AR1
SCHEMBL5134702 0.90 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL5135102 0.90 C5AR1 (0.42) LMNAALDH1A1MEN1CASP1HTT
SCHEMBL5137859 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EGAATSHRHSD17B10
SCHEMBL5136651 0.88 C5AR1 (0.43) LMNAALDH1A1MEN1CASP1HTT
SCHEMBL5137886 0.87 GNRHR (0.41) ALDH1A1KDM4EGAATSHRHSD17B10

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