SCHEMBL7657145

SCHEMBL7657145

O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)Nc1ccnc2cccc([N+](=O)[O-])c12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.46
KDR P35968 6/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
XBP1 P17861 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43
BAZ1A Q9NRL2 1/20 0.42
KIT P10721 1/20 0.42
BRAF P15056 1/20 0.42
HDAC1 Q13547 1/20 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
SCHEMBL7654391 0.80 HTR2C (0.67) TRPV1KDRHTR2CHTR2BMEN1
SCHEMBL6297826 0.73 KDR (0.65) TRPV1KDRMEN1MAPTKMT2A
SCHEMBL4556067 0.73 KDR (0.75) TRPV1KDRMEN1KMT2ALMNA
SCHEMBL13906661 0.72 NPC1 (0.69) TRPV1KDRMEN1MAPTKMT2A
SCHEMBL11003208 0.72 MEN1 (0.61) TRPV1KDRMEN1MAPTKMT2A
SCHEMBL14783804 0.69 NPC1 (0.55) TRPV1KDRMEN1MAPTKMT2A
SCHEMBL29591422 0.69 NPC1 (0.55) TRPV1KDRMEN1MAPTKMT2A
SCHEMBL29591528 0.69 NPC1 (0.53) TRPV1MEN1KMT2AALDH1A1BRAF
SCHEMBL14783521 0.69 NPC1 (0.53) TRPV1MEN1KMT2AALDH1A1BRAF
SCHEMBL30413950 0.69 KDR (0.67) TRPV1KDRMEN1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US claimed
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed