SCHEMBL5266467

SCHEMBL5266467

CC([AsH2])C(Cc1ccc(Cl)cc1)N1CCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.45
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
DRD2 P14416 7/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 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
SCHEMBL3376076 0.87 DRD4 (0.45) DRD4MAPTGAATP53DRD2
SCHEMBL6323019 0.80 DRD4 (0.45) DRD4MAPTGAATP53DRD2
SCHEMBL3525063 0.76 DRD4 (0.49) DRD4MAPTGAATP53DRD2
SCHEMBL3371790 0.72 DRD4 (0.46) DRD4MAPTGAATP53DRD2
SCHEMBL14060360 0.69 ALDH1A1 (0.46) DRD4MAPTGAADRD2KMT2A
SCHEMBL1102007 0.69 ALDH1A1 (0.48) DRD4MAPTGAATP53DRD2
SCHEMBL28567500 0.68 DRD4 (0.61) DRD4MAPTGAADRD2KMT2A
SCHEMBL13068720 0.67 SLC6A2 (0.42) MAPTGAATP53KMT2AMEN1
SCHEMBL24729037 0.67 ALDH1A1 (0.47) DRD4MAPTGAATP53DRD2
SCHEMBL8216960 0.67 ALDH1A1 (0.47) DRD4MAPTGAATP53DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP disclosed
EP-1682494-A4 ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2006-11-08 EP disclosed
EP-1682494-A1 ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-07-26 EP disclosed
WO-2005044785-A1 ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-05-19 WO disclosed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 WO disclosed