SCHEMBL6902153

SCHEMBL6902153

NCCN1CC=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
SCN4A P35499 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD1 P21728 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 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
SCHEMBL4405530 0.88 PIM1 (0.41) HTR2AMAPK1SIGMAR1CHRM2HTR1A
SCHEMBL29984959 0.86 CHRM2 (0.33) HTR2AMAPK1LMNATSHRSCN4A
SCHEMBL30346054 0.82 DRD2 (0.46) HTR2AMAPK1LMNATSHRSCN4A
SCHEMBL30753563 0.82 KMT2A (0.42) HTR2AMAPK1LMNASIGMAR1CHRM2
SCHEMBL3373919 0.82 DRD2 (0.46) HTR2AMAPK1LMNATSHRSCN4A
SCHEMBL9008261 0.82 KMT2A (0.42) HTR2AMAPK1LMNASIGMAR1CHRM2
Iodide SCHEMBL29490760 0.81 DRD2 (0.45) HTR2AMAPK1LMNATSHRSCN4A
SCHEMBL29128835 0.79 MAPK1 (0.33) HTR2AMAPK1LMNATSHRSCN4A
SCHEMBL28881123 0.79 POLB (0.36) HTR2AMAPK1LMNATSHRSIGMAR1
SCHEMBL16836340 0.79 DRD2 (0.37) HTR2AMAPK1LMNASIGMAR1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100485-A4 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-06-09 EP disclosed
EP-1100485-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
WO-2000006146-A9 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2000-08-03 WO disclosed
WO-2000006146-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed