SCHEMBL11759016

SCHEMBL11759016

O=C(NCCCCCCCNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.63
▸ PPARD Q03181 2/20 0.63
▸ HDAC3 O15379 3/20 0.60
▸ HDAC1 Q13547 3/20 0.60
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ EPHX2 P34913 2/20 0.56
▸ NR1H4 Q96RI1 1/20 0.56
▸ NAMPT P43490 1/20 0.55
▸ HDAC2 Q92769 1/20 0.54

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
SCHEMBL11758482 0.94 HDAC3 (0.65) TRPV1PPARDHDAC3HDAC1NPC1
SCHEMBL11756763 0.94 HDAC3 (0.65) TRPV1PPARDHDAC3HDAC1NPC1
SCHEMBL11761331 0.94 HDAC3 (0.65) TRPV1PPARDHDAC3HDAC1NPC1
SCHEMBL11762085 0.94 HDAC3 (0.65) TRPV1PPARDHDAC3HDAC1NPC1
SCHEMBL11758459 0.94 HDAC3 (0.65) TRPV1PPARDHDAC3HDAC1NPC1
SCHEMBL11753468 0.94 HDAC3 (0.65) TRPV1PPARDHDAC3HDAC1NPC1
SCHEMBL11762106 0.94 HDAC3 (0.65) TRPV1PPARDHDAC3HDAC1NPC1
SCHEMBL11761056 0.94 HDAC3 (0.65) TRPV1PPARDHDAC3HDAC1NPC1
SCHEMBL11761884 0.89 TRPV1 (0.62) TRPV1PPARDHDAC3HDAC1NPC1
SCHEMBL11755757 0.89 HDAC3 (0.66) TRPV1HDAC3HDAC1NPC1RAB9A

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
US-4009208-A N,N'-HEPTAMETHYLENEBIS(4-METHOXYBENZAMIDE) STERLING DRUG INC. (US) 1977-02-22 — — US disclosed
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