SCHEMBL13436707

SCHEMBL13436707

c1ccc(Nc2nc3cc(-c4ccc(N5CCOCC5)nc4)ccc3o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.51
▸ PIK3CA P42336 4/20 0.50
▸ CNR2 P34972 3/20 0.50
▸ DGAT1 O75907 3/20 0.49
▸ ATR Q13535 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL14097709 0.77 PIK3CA (0.53) HDAC6PIK3CACNR2
SCHEMBL2244482 0.75 HDAC6 (0.61) FAAHHDAC6PIK3CACNR2NPC1
SCHEMBL13436779 0.75 FAAH (0.56) FAAHHDAC6DGAT1NPC1ALDH1A1
SCHEMBL3476250 0.74 FAAH (0.61) FAAHHDAC6DGAT1NPC1ALDH1A1
SCHEMBL12928163 0.74 PIK3CA (0.70) PIK3CADGAT1
SCHEMBL16773016 0.74 CNR2 (0.69) CNR2DGAT1ATRALDH1A1GAA
SCHEMBL3474807 0.74 FAAH (0.60) FAAHHDAC6DGAT1NPC1ALDH1A1
SCHEMBL3475760 0.74 FAAH (0.60) FAAHHDAC6DGAT1NPC1ALDH1A1
SCHEMBL3475438 0.73 FAAH (0.57) FAAHHDAC6DGAT1NPC1ALDH1A1
SCHEMBL3478425 0.73 FAAH (0.57) FAAHHDAC6DGAT1NPC1ALDH1A1

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
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