SCHEMBL1862801

SCHEMBL1862801

CN(CCO)C(=O)c1ccc(C(F)(F)F)c(-c2cnc3c(Nc4ncc(C(F)(F)F)cn4)ccnc3n2)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.47
MAOA P21397 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN9A Q15858 6/20 0.35
MAPK3 P27361 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL12666701 0.91 TRPV1 (0.42) TRPV1MAOAKCNH2SCN9ASCN10A
SCHEMBL1860029 0.89 TRPV1 (0.59) TRPV1SCN9AMAPK3
SCHEMBL1859967 0.86 TRPV1 (0.59) TRPV1MAOAKCNH2MAPK3LRRK2
SCHEMBL1858995 0.84 TRPV1 (0.57) TRPV1MAOAKCNH2MAPK3
SCHEMBL1862327 0.84 TRPV1 (0.52) TRPV1MAOAKCNH2SCN9AMAPK3
SCHEMBL12665825 0.82 TRPV1 (0.48) TRPV1MAOAKCNH2LRRK2
SCHEMBL1864958 0.80 TRPV1 (0.66) TRPV1MAOAKCNH2MAPK3
SCHEMBL1864049 0.80 TRPV1 (0.46) TRPV1SCN9ASCN10A
SCHEMBL1870107 0.80 TRPV1 (0.58) TRPV1MAOAKCNH2MAPK3
SCHEMBL12666844 0.79 TRPV1 (0.51) TRPV1SCN9AMAPK3SCN10A

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