SCHEMBL1862999

SCHEMBL1862999

NC(=O)COC(=O)c1ccc(C(F)(F)F)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)n1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.61
MAPK3 P27361 1/20 0.61
MAOA P21397 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL1858547 0.90 TRPV1 (0.59) TRPV1MAPK3MAOAKCNH2
SCHEMBL1863795 0.89 TRPV1 (0.63) TRPV1MAPK3MAOAKCNH2
SCHEMBL1863481 0.88 TRPV1 (0.70) TRPV1MAPK3MAOAKCNH2
SCHEMBL1865075 0.86 TRPV1 (0.70) TRPV1MAPK3MAOAKCNH2
SCHEMBL1862100 0.85 TRPV1 (0.60) TRPV1MAPK3MAOAKCNH2
SCHEMBL1860025 0.85 TRPV1 (0.69) TRPV1MAPK3MAOAKCNH2
SCHEMBL1865975 0.83 TRPV1 (0.67) TRPV1MAPK3MAOAKCNH2
SCHEMBL1862997 0.83 TRPV1 (0.64) TRPV1MAPK3MAOAKCNH2
SCHEMBL1866310 0.83 TRPV1 (0.66) TRPV1MAPK3MAOAKCNH2
SCHEMBL1862511 0.80 TRPV1 (0.75) TRPV1MAPK3MAOAKCNH2

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
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed