SCHEMBL273501

SCHEMBL273501

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1COc2cc(O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.52
KDR P35968 1/20 0.50
MAPT P10636 1/20 0.47
PDK1 Q15118 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRIN2B Q13224 1/20 0.45
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL2437298 0.88 AR (0.41) TRPV1KDRMAPT
SCHEMBL274088 0.83 GRIN2B (0.47) TRPV1KDRMAPTNPSR1SMN1; SMN2
SCHEMBL2435262 0.81 TRPV1 (0.48) TRPV1MAPTNPSR1SMN1; SMN2GRIN2B
SCHEMBL273466 0.80 KDR (0.54) KDRMEN1KMT2A
SCHEMBL274235 0.77 KDR (0.51) KDRMEN1KMT2A
SCHEMBL7558694 0.72 KDR (0.59) KDRMAPTPDK1NPSR1SMN1; SMN2
SCHEMBL2434309 0.72 KDR (0.50) KDR
SCHEMBL18615701 0.72 KDR (0.50) KDRMAPTHTT
SCHEMBL2437389 0.72 GRM4 (0.41) MAPTPDK1SMN1; SMN2
SCHEMBL281864 0.71 KDR (0.85) TRPV1KDRPDK1

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-8133886-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-03-13 US disclosed
EP-2371822-A1 Heterobicyclic carboxamides as inhibitors for kinases Novartis AG (CH) 2011-10-05 EP disclosed