SCHEMBL3477459

SCHEMBL3477459

CN1CCOc2cc(-c3ccc4oc(Nc5ccccc5)nc4c3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.57
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
DGAT1 O75907 1/20 0.46
HDAC4 P56524 1/20 0.46
NPC1 O15118 2/20 0.45
GAA P10253 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.44
CASP3 P42574 1/20 0.44
KMT2A Q03164 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
NOTUM Q6P988 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
PIK3CA P42336 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL3477760 0.83 FAAH (0.59) FAAHDGAT1NPC1GAARAB9A
SCHEMBL3478425 0.82 FAAH (0.57) FAAHDGAT1NPC1GAARAB9A
SCHEMBL3477421 0.80 FAAH (0.55) FAAHDGAT1NPC1GAARAB9A
SCHEMBL3478220 0.78 CYP1A2 (0.57) FAAHDGAT1NPC1GAARAB9A
SCHEMBL3475856 0.75 FAAH (0.65) FAAHDGAT1NPC1GAARAB9A
SCHEMBL13436718 0.73 FAAH (0.57) FAAHDGAT1NPC1GAARAB9A
SCHEMBL3476992 0.73 FAAH (1.00) FAAH
SCHEMBL3476446 0.72 FAAH (0.61) FAAHDGAT1NPC1GAARAB9A
SCHEMBL13436702 0.72 FAAH (0.61) FAAHDGAT1NPC1GAARAB9A
SCHEMBL3475208 0.72 FAAH (0.61) FAAHDGAT1NPC1GAARAB9A

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