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