SCHEMBL3476255

SCHEMBL3476255

COc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.62
PIK3CA P42336 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
RPS6KA2 Q15349 1/20 0.47
HCRTR1 O43613 1/20 0.40
SSTR5 P35346 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 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
SCHEMBL3476655 0.89 FAAH (0.69) FAAHPIK3CAHDAC6RPS6KA2GABRP
SCHEMBL3475774 0.83 FAAH (0.61) FAAHPIK3CAHDAC6RPS6KA2SSTR5
SCHEMBL3476787 0.83 FAAH (0.72) FAAHPIK3CAHDAC6RPS6KA2SSTR5
SCHEMBL3474867 0.82 FAAH (0.69) FAAHPIK3CAHDAC6RPS6KA2HCRTR1
SCHEMBL3477435 0.82 FAAH (0.75) FAAHPIK3CAHDAC6RPS6KA2HCRTR1
SCHEMBL3476299 0.81 FAAH (0.73) FAAHPIK3CAHDAC6RPS6KA2HCRTR1
SCHEMBL13436724 0.80 FAAH (0.63) FAAHPIK3CAHDAC6RPS6KA2SSTR5
SCHEMBL3476698 0.77 FAAH (1.00) FAAHPIK3CAHDAC6RPS6KA2SSTR5
SCHEMBL3476876 0.77 FAAH (0.77) FAAHPIK3CAHDAC6RPS6KA2SSTR5
SCHEMBL3476090 0.77 FAAH (0.61) FAAHPIK3CAHDAC6SSTR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed