SCHEMBL8771823

SCHEMBL8771823

O=C(Nc1ccc(C(=O)c2ccc(NC(=O)N3CCN(CCCO)CC3)cc2)cc1)c1ccc(I)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.49
▸ CA2 P00918 3/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ NAMPT P43490 7/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ EPAS1 Q99814 2/20 0.47
▸ TRPV1 Q8NER1 1/20 0.42
▸ STS P08842 3/20 0.42

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
SCHEMBL1665682 0.83 HPGDS (0.51) FAAHCA2CA9CA12CA1
SCHEMBL1663618 0.80 NPC1 (0.56) —
SCHEMBL1664301 0.71 NPC1 (0.49) —
SCHEMBL3674376 0.70 TRPV1 (0.76) HIF1AEPAS1TRPV1
SCHEMBL1663685 0.70 MAPT (0.53) NAMPTHIF1A
SCHEMBL14574170 0.69 CA2 (0.71) FAAHCA2CA9CA12CA1
Iodide SCHEMBL4160975 0.69 FAAH (0.49) FAAHCA2CA9CA12CA1
SCHEMBL25041147 0.69 FAAH (0.90) FAAHCA2CA9CA12CA1
SCHEMBL29198126 0.68 RAB9A (0.70) —
Iodide SCHEMBL4157379 0.68 FAAH (0.59) FAAHTRPV1

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-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 — — WO disclosed
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