SCHEMBL14566136

SCHEMBL14566136

Bc1ccc(/C(=C\C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(Br)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.65
NPC1 O15118 8/20 0.62
RAB9A P51151 8/20 0.62
MAOB P27338 2/20 0.56
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL13675679 0.94 TRPV1 (0.72) TRPV1NPC1RAB9AMAOBMEN1
SCHEMBL4002352 0.82 TRPV1 (0.76) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL13675680 0.79 TRPV1 (1.00) TRPV1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5171565 0.78 RAB9A (1.00) NPC1RAB9AMAOBMEN1KMT2A
SCHEMBL13675707 0.76 TRPV1 (0.91) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL3998005 0.76 TRPV1 (1.00) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL3998011 0.76 TRPV1 (1.00) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL13675900 0.75 TRPV1 (1.00) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL13675708 0.75 TRPV1 (0.89) TRPV1NPC1RAB9AMAOBMEN1
SCHEMBL13675709 0.75 TRPV1 (0.89) TRPV1RAB9AMAOBMEN1KMT2A

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
EP-1764358-A2 Cyclic amides as vanilloid receptor ligands and their use in treatments of inflammatory and neuropathic pain Amgen, Inc (US) 2007-03-21 EP disclosed