SCHEMBL4013901

SCHEMBL4013901

c1ccc2ncc(Nc3nccc4c3CCN(Cc3c[nH]c5ccccc35)C4)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.70
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
BCHE P06276 1/20 0.41
CYP2D6 P10635 1/20 0.41
GRM4 Q14833 1/20 0.40
HTR6 P50406 1/20 0.40
PEX14 O75381 1/20 0.40

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
SCHEMBL4014452 0.90 FAAH (0.68) FAAHHCRTR1HCRTR2LMNAHTT
SCHEMBL3933752 0.83 FAAH (0.89) FAAH
SCHEMBL3936220 0.83 FAAH (1.00) FAAH
SCHEMBL3931765 0.81 FAAH (0.79) FAAHDRD2DRD4DRD3GRM4
SCHEMBL3935343 0.81 FAAH (0.89) FAAH
SCHEMBL4017197 0.81 FAAH (0.75) FAAHGRM4
SCHEMBL3933423 0.81 FAAH (0.87) FAAH
SCHEMBL3935112 0.81 FAAH (0.87) FAAHLMNA
SCHEMBL3941123 0.80 FAAH (0.86) FAAH
SCHEMBL4012669 0.79 FAAH (0.79) FAAHHTR6

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-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed