SCHEMBL13436717

SCHEMBL13436717

COc1ccc(-c2ccc3oc(Nc4ccccc4)nc3c2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.56
NPC1 O15118 2/20 0.50
GAA P10253 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RPS6KA2 Q15349 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
DGAT1 O75907 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL3476682 0.89 FAAH (0.60) FAAHNPC1GAARAB9AALDH1A1
SCHEMBL3476760 0.83 FAAH (0.56) FAAHNPC1GAARAB9AALDH1A1
SCHEMBL3474216 0.81 FAAH (0.62) FAAHNPC1GAARAB9AALDH1A1
SCHEMBL3477398 0.81 FAAH (0.58) FAAHNPC1GAARAB9AALDH1A1
SCHEMBL3475438 0.80 FAAH (0.57) FAAHNPC1GAARAB9AALDH1A1
SCHEMBL3476292 0.80 FAAH (0.53) FAAHNPC1GAARAB9AALDH1A1
SCHEMBL3475836 0.79 NPC1 (0.56) FAAHNPC1GAARAB9AALDH1A1
SCHEMBL13436779 0.79 FAAH (0.56) FAAHNPC1GAARAB9AALDH1A1
SCHEMBL3475856 0.79 FAAH (0.65) FAAHNPC1GAARAB9AALDH1A1
SCHEMBL3475759 0.78 FAAH (0.57) FAAHNPC1GAARAB9AALDH1A1

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